CAS No.290315-45-6,2-[(1R)-1-[[(4-chlorophenyl)sulfonyl](2,5-difluorophenyl)amino]ethyl]-5-fluoroBenzenebutanoic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	290315-45-6
Name:	2-[(1R)-1-[[(4-chlorophenyl)sulfonyl](2,5-difluorophenyl)amino]ethyl]-5-fluoroBenzenebutanoic acid

Formula:	C₂₄H₂₁ClF₃NO₄S
Molecular Weight:	511.946
Synonyms:	Benzenebutanoic acid, 2-[(1R)-1-[[(4-chlorophenyl)sulfonyl](2, 5-difluorophenyl)amino]ethyl]-5-fluoro-;
Density:	1.421 g/cm³
Boiling Point:	620 °C at 760 mmHg
Flash Point:	328.7 °C
Appearance:	White to off-white solid
Hazard Symbols:	Xn
Risk Codes:	22-36
Safety:	26
PSA:	83.06000
LogP:	7.20190

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Specification

The BMS 299897, with the CAS registry number 290315-45-6, is also known as Benzenebutanoic acid, 2-[(1R)-1-[[(4-chlorophenyl)sulfonyl](2, 5-difluorophenyl)amino]ethyl]-5-fluoro-. This chemical's molecular formula is C₂₄H₂₁ClF₃NO₄S and molecular weight is 511.946. What's more, its systematic name is 4-{2-[(1R)-1-{[(4-Chlorophenyl)sulfonyl](2, 5-difluorophenyl)amino}ethyl]-5-fluorophenyl}butanoic acid. In addition, it must be stored at -20 °C.

Physical properties about BMS 299897 are: (1)ACD/LogP: 5.28; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 4.43; (4)ACD/LogD (pH 7.4): 2.63; (5)ACD/BCF (pH 5.5): 857.05; (6)ACD/BCF (pH 7.4): 13.6; (7)ACD/KOC (pH 5.5): 2506.4; (8)ACD/KOC (pH 7.4): 39.76; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 72.06 Å²; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 123.44 cm³; (15)Molar Volume: 360 cm³; (16)Polarizability: 48.93×10^-24 cm³; (17)Surface Tension: 53.8 dyne/cm; (18)Density: 1.421 g/cm³; (19)Flash Point: 328.7 °C; (20)Enthalpy of Vaporization: 96.6 kJ/mol; (21)Boiling Point: 620 °C at 760 mmHg; (22)Vapour Pressure: 3.13E-16 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1ccc(Cl)cc1)N(c2cc(F)ccc2F)[C@@H](c3ccc(F)cc3CCCC(=O)O)C
(2) InChI: InChI=1/C24H21ClF3NO4S/c1-15(21-11-7-18(26)13-16(21)3-2-4-24(30)31)29(23-14-19(27)8-12-22(23)28)34(32,33)20-9-5-17(25)6-10-20/h5-15H,2-4H2,1H3,(H,30,31)/t15-/m1/s1
(3) InChIKey: IZAOBRWCUGOKNH-OAHLLOKOBO