[(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl-[(4-aminophenyl)sulfonyl]amino] propyl]carbamic acid tert-butyl ester supplier

Name
[(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl-[(4-aminophenyl)sulfonyl]amino] propyl]-carbamic Acid tert-Butyl Ester
EINECS
CAS No. 183004-94-6
Article Data18
CAS DataBase
Density 1.198 g/cm³
Solubility
Melting Point 60-63 °C
Formula C₂₅H₃₇N₃O₅S
Boiling Point
Molecular Weight 491.652
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Carbamicacid, [(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-,1,1-dimethylethyl ester (9CI);Carbamic acid,[3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-,1,1-dimethylethyl ester, [R-(R*,S*)]-;tert-Butyl[(1S,2R)-3-[[(4-aminophenyl)sulfonyl](isobutyl)amino]-1-benzyl-2-hydroxypropyl]carbamate;
PSA 130.34000
LogP 5.46530

[(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl-[(4-aminophenyl)sulfonyl]amino] propyl]carbamic acid tert-butyl ester Specification

The [(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl-[(4-aminophenyl)sulfonyl]amino] propyl]carbamic acid tert-butyl ester, with the CAS registry number 183004-94-6, is also known as tert-Butyl[(1S,2R)-3-[[(4-aminophenyl)sulfonyl](isobutyl)amino]-1-benzyl-2-hydroxypropyl]carbamate. It belongs to the product categories of Chiral Reagents; Intermediates; Sulfur & Selenium Compounds. This chemical's molecular formula is C₂₅H₃₇N₃O₅S and molecular weight is 491.64. What's more, its systematic name is 2-Methyl-2-propanyl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate.

Physical properties of [(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl-[(4-aminophenyl)sulfonyl]amino] propyl]carbamic acid tert-butyl ester are: (1)ACD/LogP: 5.659; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.66; (4)ACD/LogD (pH 7.4): 5.66; (5)ACD/BCF (pH 5.5): 11770.74; (6)ACD/BCF (pH 7.4): 11772.35; (7)ACD/KOC (pH 5.5): 28539.65; (8)ACD/KOC (pH 7.4): 28543.57; (9)#H bond acceptors: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 130.34 Å²; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 134.963 cm³; (15)Molar Volume: 410.509 cm³; (16)Polarizability: 53.503×10^-24cm³; (17)Surface Tension: 50.3 dyne/cm; (18)Density: 1.198 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(N)cc1)N(C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)Cc2ccccc2)CC(C)C
(2)Std. InChI: InChI=1S/C25H37N3O5S/c1-18(2)16-28(34(31,32)21-13-11-20(26)12-14-21)17-23(29)22(15-19-9-7-6-8-10-19)27-24(30)33-25(3,4)5/h6-14,18,22-23,29H,15-17,26H2,1-5H3,(H,27,30)/t22-,23+/m0/s1
(3)Std. InChIKey: GSFKNEPGHWUCQO-XZOQPEGZSA-N

Product Name

[(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl-[(4-aminophenyl)sulfonyl]amino] propyl]-carbamic Acid tert-Butyl Ester

[(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl-[(4-aminophenyl)sulfonyl]amino] propyl]carbamic acid tert-butyl ester Specification

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