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548472-68-0

Basic Information
CAS No.: 548472-68-0
Name: NUTLIN-3
Article Data: 8
Molecular Structure:
Molecular Structure of 548472-68-0 (NUTLIN-3)
Formula: C30H30Cl2N4O4
Molecular Weight: 581.499
Synonyms: Piperazinone,4-[[(4R,5S)-4,5-bis(4-chlorophenyl)-4,5-dihydro-2-[4-methoxy-2-(1-methylethoxy)phenyl]-1H-imidazol-1-yl]carbonyl]-,rel- (9CI);Nutlin 3;cis-4-[[4,5-Bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydroimidazole-1-yl]carbonyl]piperazin-2-one;
EINECS: 200-258-5
Density: 1.36 g/cm3
Hazard Symbols: Xi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 83.47000
LogP: 5.52600
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  • Nutlin-3

  • Casno:

    548472-68-0

    Nutlin-3

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    changzhou weihao chemical technology co.,ltd is a set research and development,production,sales in one of the high-end integrated company. management team has domestic and inter

  • Weihao Chemtech (ChangZhou) Co., Ltd.

     China (Mainland)  |  Contact Details

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    Tel:051989185693

    Address:NO 217 huangshan Rd ,Changzhou

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Specification

The Nutlin-3, with the CAS registry number 548472-68-0, has the systematic name of 4-({4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one. And the molecular formula of the chemical is C30H30Cl2N4O4.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.77; (4)ACD/LogD (pH 7.4): 2.77; (5)ACD/BCF (pH 5.5): 74.94; (6)ACD/BCF (pH 7.4): 74.99; (7)ACD/KOC (pH 5.5): 764.6; (8)ACD/KOC (pH 7.4): 765.15; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 74.68 Å2; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 155.21 cm3; (15)Molar Volume: 426.7 cm3; (16)Polarizability: 61.53×10-24cm3; (17)Surface Tension: 49.4 dyne/cm; (18)Density: 1.36 g/cm3.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C5NCCN(C(=O)N2\C(=N/C(c1ccc(Cl)cc1)C2c3ccc(Cl)cc3)c4ccc(OC)cc4OC(C)C)C5
(2)InChI: InChI=1/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)
(3)InChIKey: BDUHCSBCVGXTJM-UHFFFAOYAL