Butanoic acid, 4-(((3alpha,5alpha)-cholestan-3-yl)amino)mercapto-4-oxo-
TL;DR: Butanoic acid, 4-(((3alpha,5alpha)-cholestan-3-yl)amino)mercapto-4-oxo- (CAS 74522-81-9) is a chemical compound with molecular formula C31H53NO3S and molecular weight 519.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(3R,5S,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]sulfanyl-4-oxobutanoic acid
Also Known As: Butanoic acid, 4-(((3alpha,5alpha)-cholestan-3-yl)amino)mercapto-4-oxo-, 4-{[(Cholestan-3-yl)amino]sulfanyl}-4-oxobutanoic acid, Butanoic acid, 4-[[(3a,5a)-cholestan-3-yl]amino]mercapto-4-oxo- (9CI), 4-({[(8xi,9xi,14xi)-5alpha-Cholestan-3alpha-yl]amino}sulfanyl)-4-oxobutanoic acid, 4-[[(3R,5S,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]sulfanyl-4-oxobutanoic acid
| Molecular Formula | C31H53NO3S |
|---|---|
| Molecular Weight | 519.37 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 519.37463 |
| Heavy Atoms | 36 |
| Complexity | 786.0 |
Chemical Identifiers
| CAS Number | 74522-81-9 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CC[C@H](C4)NSC(=O)CCC(=O)O)C)C |
| InChIKey | FLAUHIJUGQGDFE-LPKCWGDRSA-N |
Product Overview
Butanoic acid, 4-(((3alpha,5alpha)-cholestan-3-yl)amino)mercapto-4-oxo- (CAS 74522-81-9), with molecular formula C31H53NO3S and molecular weight 519.37 g/mol. IUPAC: 4-[[(3R,5S,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]sulfanyl-4-oxobutanoic acid.
Chemical Property Profile of Butanoic acid, 4-(((3alpha,5alpha)-cholestan-3-yl)amino)mercapto-4-oxo-
Property Insights of Butanoic acid, 4-(((3alpha,5alpha)-cholestan-3-yl)amino)mercapto-4-oxo-
The XLogP value of 7.0 indicates that Butanoic acid, 4-(((3alpha,5alpha)-cholestan-3-yl)amino)mercapto-4-oxo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 4-(((3alpha,5alpha)-cholestan-3-yl)amino)mercapto-4-oxo-. Following Lipinski's Rule of Five, Butanoic acid, 4-(((3alpha,5alpha)-cholestan-3-yl)amino)mercapto-4-oxo- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butanoic acid, 4-(((3alpha,5alpha)-cholestan-3-yl)amino)mercapto-4-oxo-?
The CAS number of Butanoic acid, 4-(((3alpha,5alpha)-cholestan-3-yl)amino)mercapto-4-oxo- is 74522-81-9.
What is the molecular formula of Butanoic acid, 4-(((3alpha,5alpha)-cholestan-3-yl)amino)mercapto-4-oxo-?
The molecular formula of Butanoic acid, 4-(((3alpha,5alpha)-cholestan-3-yl)amino)mercapto-4-oxo- is C31H53NO3S.
What is the molecular weight of Butanoic acid, 4-(((3alpha,5alpha)-cholestan-3-yl)amino)mercapto-4-oxo-?
The molecular weight of Butanoic acid, 4-(((3alpha,5alpha)-cholestan-3-yl)amino)mercapto-4-oxo- is 519.37 g/mol.
Where can I buy Butanoic acid, 4-(((3alpha,5alpha)-cholestan-3-yl)amino)mercapto-4-oxo-?
You can request a quote for Butanoic acid, 4-(((3alpha,5alpha)-cholestan-3-yl)amino)mercapto-4-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 4-(((3alpha,5alpha)-cholestan-3-yl)amino)mercapto-4-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 4-(((3alpha,5alpha)-cholestan-3-yl)amino)mercapto-4-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.