N-(1,3,7,12-tetrahydroxycholan-24-oyl)-2-aminopropionic acid
TL;DR: N-(1,3,7,12-tetrahydroxycholan-24-oyl)-2-aminopropionic acid (CAS 145644-16-2) is a chemical compound with molecular formula C27H45NO7 and molecular weight 495.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(4R)-4-[(1R,3S,5S,7R,10S,12S,13R,17R)-1,3,7,12-tetrahydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propanoic acid
Also Known As: CA-1beta-ol-Apa, N-(1-Hydroxycholyl)-2-aminopropionic acid, N-(1,3,7,12-Tetrahydroxycholan-24-oyl)-2-aminopropionic acid, N-(1,3,7,12,24-Pentahydroxycholan-24-ylidene)alanine, (2S)-2-[[(4R)-4-[(1R,3S,5S,7R,10S,12S,13R,17R)-1,3,7,12-tetrahydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propanoic acid
| Molecular Formula | C27H45NO7 |
|---|---|
| Molecular Weight | 495.32 g/mol |
| LogP | 1.9242 |
| Topological Polar Surface Area | 147.32 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 495.3196 |
| Heavy Atoms | 35 |
| Complexity | 821.3515 |
Chemical Identifiers
| CAS Number | 145644-16-2 |
|---|---|
| SMILES | C[C@H](CCC(=O)N[C@@H](C)C(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3([C@@H](C[C@H](C4)O)O)C)O)O)C |
Product Overview
N-(1,3,7,12-tetrahydroxycholan-24-oyl)-2-aminopropionic acid (CAS 145644-16-2), with molecular formula C27H45NO7 and molecular weight 495.32 g/mol. IUPAC: (2S)-2-[[(4R)-4-[(1R,3S,5S,7R,10S,12S,13R,17R)-1,3,7,12-tetrahydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propanoic acid.
Chemical Property Profile of N-(1,3,7,12-tetrahydroxycholan-24-oyl)-2-aminopropionic acid
Property Insights of N-(1,3,7,12-tetrahydroxycholan-24-oyl)-2-aminopropionic acid
The XLogP value of 1.9242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3,7,12-tetrahydroxycholan-24-oyl)-2-aminopropionic acid. The TPSA of 147.32 Ų indicates high polarity, suggesting N-(1,3,7,12-tetrahydroxycholan-24-oyl)-2-aminopropionic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(1,3,7,12-tetrahydroxycholan-24-oyl)-2-aminopropionic acid has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(1,3,7,12-tetrahydroxycholan-24-oyl)-2-aminopropionic acid?
The CAS number of N-(1,3,7,12-tetrahydroxycholan-24-oyl)-2-aminopropionic acid is 145644-16-2.
What is the molecular formula of N-(1,3,7,12-tetrahydroxycholan-24-oyl)-2-aminopropionic acid?
The molecular formula of N-(1,3,7,12-tetrahydroxycholan-24-oyl)-2-aminopropionic acid is C27H45NO7.
What is the molecular weight of N-(1,3,7,12-tetrahydroxycholan-24-oyl)-2-aminopropionic acid?
The molecular weight of N-(1,3,7,12-tetrahydroxycholan-24-oyl)-2-aminopropionic acid is 495.32 g/mol.
Where can I buy N-(1,3,7,12-tetrahydroxycholan-24-oyl)-2-aminopropionic acid?
You can request a quote for N-(1,3,7,12-tetrahydroxycholan-24-oyl)-2-aminopropionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3,7,12-tetrahydroxycholan-24-oyl)-2-aminopropionic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3,7,12-tetrahydroxycholan-24-oyl)-2-aminopropionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.