N-((3alpha,5beta)-3-hydroxy-7,24-dioxocholan-24-yl)glycine
TL;DR: N-((3alpha,5beta)-3-hydroxy-7,24-dioxocholan-24-yl)glycine (CAS 75808-00-3) is a chemical compound with molecular formula C26H41NO5 and molecular weight 447.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
Also Known As: 7-Oxo-GCGCA, 7-Oxoglycochenodeoxycholic acid, nutriaglycocholic acid, 7-oxoglycolithocholic acid, 7-ketoglycolithocholic acid
| Molecular Formula | C26H41NO5 |
|---|---|
| Molecular Weight | 447.30 g/mol |
| LogP | 3.8023 |
| Topological Polar Surface Area | 103.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.29846 |
| Heavy Atoms | 32 |
| Complexity | 767.3162 |
Chemical Identifiers
| CAS Number | 75808-00-3 |
|---|---|
| SMILES | C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)C |
Product Overview
N-((3alpha,5beta)-3-hydroxy-7,24-dioxocholan-24-yl)glycine (CAS 75808-00-3), with molecular formula C26H41NO5 and molecular weight 447.30 g/mol. IUPAC: 2-[[(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid.
Chemical Property Profile of N-((3alpha,5beta)-3-hydroxy-7,24-dioxocholan-24-yl)glycine
Property Insights of N-((3alpha,5beta)-3-hydroxy-7,24-dioxocholan-24-yl)glycine
The XLogP value of 3.8023 indicates that N-((3alpha,5beta)-3-hydroxy-7,24-dioxocholan-24-yl)glycine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((3alpha,5beta)-3-hydroxy-7,24-dioxocholan-24-yl)glycine. Following Lipinski's Rule of Five, N-((3alpha,5beta)-3-hydroxy-7,24-dioxocholan-24-yl)glycine has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-((3alpha,5beta)-3-hydroxy-7,24-dioxocholan-24-yl)glycine?
The CAS number of N-((3alpha,5beta)-3-hydroxy-7,24-dioxocholan-24-yl)glycine is 75808-00-3.
What is the molecular formula of N-((3alpha,5beta)-3-hydroxy-7,24-dioxocholan-24-yl)glycine?
The molecular formula of N-((3alpha,5beta)-3-hydroxy-7,24-dioxocholan-24-yl)glycine is C26H41NO5.
What is the molecular weight of N-((3alpha,5beta)-3-hydroxy-7,24-dioxocholan-24-yl)glycine?
The molecular weight of N-((3alpha,5beta)-3-hydroxy-7,24-dioxocholan-24-yl)glycine is 447.30 g/mol.
Where can I buy N-((3alpha,5beta)-3-hydroxy-7,24-dioxocholan-24-yl)glycine?
You can request a quote for N-((3alpha,5beta)-3-hydroxy-7,24-dioxocholan-24-yl)glycine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((3alpha,5beta)-3-hydroxy-7,24-dioxocholan-24-yl)glycine?
Yes, KEHONG BIO provides custom synthesis services for N-((3alpha,5beta)-3-hydroxy-7,24-dioxocholan-24-yl)glycine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.