Name: RG7227, ITMN-191, RO5190591
SKU: 850876-88-9

Products Categories

Pharmaceutical (31)
Organic Chemicals (9)
Others (5)
Reagent (1)

Basic Information

Molecular Structure:
CAS No.:	850876-88-9
Name:	RG7227, ITMN-191, RO5190591
Article Data:	4

Formula:	C₃₅H₄₆FN₅O₉S
Molecular Weight:	731.83
Synonyms:	4-Fluoro-1,3-dihydro-2H-isoindole-2-carboxylic acid (2R,6S,13αS,14αR,16αS)-14α-[[(cyclopropylsulfonyl)amino]carbonyl]-6-[[(1,1-dimethylethoxy)carbonyl]amino]-1,2,3,5,6,7,8,9,10,11,13α,14,14α,15,16,16α-hexadecahydro-5,16-dioxocyclopropa[e]pyrrolo[1,2-α][1,4]diazacyclopentadecin-2-yl ester;
Density:	1.378 g/cm³
PSA:	188.90000
LogP:	5.21150

Country:
Business Type:
All

Lab/Research institutions

Trading Company

Manufacturers

Other
Certificate:
Manufacturer

Enterprise Authentication

ISO

GMP

FDA

HALAL

Display:default sort
Suppiers of more reward points first

New supplier

Total:40 Page 1 of 2 1 2 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 850876-88-9

Specification

The Danoprevir, with the CAS registry number 850876-88-9, is also known as 4-Fluoro-1,3-dihydro-2H-isoindole-2-carboxylic acid (2R,6S,13αS,14αR,16αS)-14α-[[(cyclopropylsulfonyl)amino]carbonyl]-6-[[(1,1-dimethylethoxy)carbonyl]amino]-1,2,3,5,6,7,8,9,10,11,13α,14,14α,15,16,16α-hexadecahydro-5,16-dioxocyclopropa[e]pyrrolo[1,2-α][1,4]diazacyclopentadecin-2-yl ester. What's more,this chemical's molecular formula is C₃₅H₄₆FN₅O₉S and molecular weight is 731.83.

Physical properties about Danoprevir are: (1) ACD/LogP: 3.65; (2) # of Rule of 5 Violations: 2; (3) ACD/LogD (pH 5.5): 3.653; (4) ACD/LogD (pH 7.4): 3.653; (5) ACD/BCF (pH 5.5): 351.78; (6) ACD/BCF (pH 7.4): 351.689; (7) ACD/KOC (pH 5.5): 2311.782; (8) ACD/KOC (pH 7.4): 2311.185; (9) #H bond acceptors: 13; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 8; (12) Polar Surface Area: 171.83 Å²; (13) Index of Refraction: 1.617; (14) Molar Refractivity: 182.243 cm³; (15) Molar Volume: 521.009 cm³; (16) Surface Tension: 63.765 dyne/cm; (17) Density: 1.378 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC(=O)N4Cc5cccc(c5C4)F)CNS(=O)(=O)C6CC6
(2) InChI: InChI=1/C35H48FN5O8S/c1-34(2,3)49-32(44)38-28-13-8-6-4-5-7-11-23-17-35(23,21-37-50(46,47)25-14-15-25)39-30(42)29-16-24(19-41(29)31(28)43)48-33(45)40-18-22-10-9-12-27(36)26(22)20-40/h7,9-12,23-25,28-29,37H,4-6,8,13-21H2,1-3H3,(H,38,44)(H,39,42)/b11-7-/t23-,24-,28+,29+,35+/m1/s1
(3) InChIKey: NLLUOMDMSMVXKN-UIOHFMAFBE