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(6aR,8S,10aS)-10a-(4-chlorophenylsulfonyl)-1,4-difluoro-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chroMen-8-ol is a complex organic compound with a unique molecular structure. It consists of a 1,4-difluoro-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chroMen-8-ol core and a 4-chlorophenylsulfonyl group attached to the 10a position. The presence of functional groups commonly found in bioactive molecules suggests that this compound may have potential applications in the pharmaceutical industry.

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  • (6aR,8S,10aS)-10a-(4-chlorophenylsulfonyl)-1,4-difluoro-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chroMen-8-ol

    Cas No: 944949-06-8

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  • 944949-06-8 Structure
  • Basic information

    1. Product Name: (6aR,8S,10aS)-10a-(4-chlorophenylsulfonyl)-1,4-difluoro-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chroMen-8-ol
    2. Synonyms: (6aR,8S,10aS)-10a-(4-chlorophenylsulfonyl)-1,4-difluoro-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chroMen-8-ol;(6AR,8S,10aS)-10a-((4-Chlorophenyl)sulfonyl)-1,4-difluoro-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]ch;(6AR,8S,10aS)-10a-((4-Chlorophenyl)sulfonyl)-1,4-difluoro-6a,7,8,9,10,10a-hexahydro-6H-benzo[c
    3. CAS NO:944949-06-8
    4. Molecular Formula: C19H17ClF2O4S
    5. Molecular Weight: 414.8506864
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 944949-06-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 586.0±50.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.488±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: 14.17±0.40(Predicted)
    10. CAS DataBase Reference: (6aR,8S,10aS)-10a-(4-chlorophenylsulfonyl)-1,4-difluoro-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chroMen-8-ol(CAS DataBase Reference)
    11. NIST Chemistry Reference: (6aR,8S,10aS)-10a-(4-chlorophenylsulfonyl)-1,4-difluoro-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chroMen-8-ol(944949-06-8)
    12. EPA Substance Registry System: (6aR,8S,10aS)-10a-(4-chlorophenylsulfonyl)-1,4-difluoro-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chroMen-8-ol(944949-06-8)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 944949-06-8(Hazardous Substances Data)

944949-06-8 Usage

Uses

Used in Pharmaceutical Industry:
(6aR,8S,10aS)-10a-(4-chlorophenylsulfonyl)-1,4-difluoro-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chroMen-8-ol is used as a potential bioactive molecule for the development of new pharmaceuticals. Its complex structure and the presence of functional groups commonly found in bioactive molecules make it a promising candidate for further research and development. The specific, targeted effect of this compound on biological systems may lead to the discovery of new therapeutic agents.

Check Digit Verification of cas no

The CAS Registry Mumber 944949-06-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,4,4,9,4 and 9 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 944949-06:
(8*9)+(7*4)+(6*4)+(5*9)+(4*4)+(3*9)+(2*0)+(1*6)=218
218 % 10 = 8
So 944949-06-8 is a valid CAS Registry Number.

944949-06-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name (6aR,8S,10aS)-10a-(4-chlorophenyl)sulfonyl-1,4-difluoro-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-ol

1.2 Other means of identification

Product number -
Other names (6aR,8S,10aS)-10a-((4-Chlorophenyl)sulfonyl)-1,4-difluoro-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-8-ol

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:944949-06-8 SDS

944949-06-8Downstream Products

944949-06-8Relevant articles and documents

Design and synthesis of tricyclic sulfones as γ-secretase inhibitors with greatly reduced Notch toxicity

Xu, Ruo,Cole, David,Asberom, Ted,Bara, Tom,Bennett, Chad,Burnett, Duane A.,Clader, John,Domalski, Martin,Greenlee, William,Hyde, Lynn,Josien, Hubert,Li, Hongmei,McBriar, Mark,McKittrick, Brian,McPhail, Andrew T.,Pissarnitski, Dmitri,Qiang, Li,Rajagopalan, Murali,Sasikumar, Thavalakulamgar,Su, Jing,Tang, Haiqun,Wu, Wen-Lian,Zhang, Lili,Zhao, Zhiqiang

scheme or table, p. 2591 - 2596 (2010/07/05)

A novel series of tricyclic γ-secretase inhibitors was designed and synthesized via a conformational analysis of literature compounds. The preliminary results have shown that compounds in this new series have much improved in vitro potency and in vivo pro

BENZENESULFONYL-CHROMANE, THIOCHROMANE, TETRAHYDRONAPHTHALENE AND RELATED GAMMA SECRETASE INHIBITORS

-

Page/Page column 120-121, (2010/11/28)

This invention discloses novel gamma secretase inhibitors of the formula: R2 and R3, or R2 and R4, or R3 and R4, together with the atoms to which they are bound, can form a fused cycloalkyl

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