3-Hydroxy-5-cholenoylglycine
TL;DR: 3-Hydroxy-5-cholenoylglycine (CAS 69776-17-6) is a chemical compound with molecular formula C26H41NO4 and molecular weight 431.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
Also Known As: 3-Hydroxy-5-cholenoylglycine, 3beta-Hydroxy-5-cholenoyl glycine, 3 beta-hydroxy-5-cholenoyl glycine, US20230340011, Example 107., N-(3,24-Dihydroxychol-5-en-24-ylidene)glycine
| Molecular Formula | C26H41NO4 |
|---|---|
| Molecular Weight | 431.30 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.30356 |
| Heavy Atoms | 31 |
| Complexity | 748.0 |
Chemical Identifiers
| CAS Number | 69776-17-6 |
|---|---|
| SMILES | C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C |
| InChIKey | YVPDWGJLXBNGPX-ZHRHZKROSA-N |
Product Overview
3-Hydroxy-5-cholenoylglycine (CAS 69776-17-6), with molecular formula C26H41NO4 and molecular weight 431.30 g/mol. IUPAC: 2-[[(4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid.
Chemical Property Profile of 3-Hydroxy-5-cholenoylglycine
Property Insights of 3-Hydroxy-5-cholenoylglycine
The XLogP value of 4.8 indicates that 3-Hydroxy-5-cholenoylglycine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-5-cholenoylglycine. Following Lipinski's Rule of Five, 3-Hydroxy-5-cholenoylglycine 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 3-Hydroxy-5-cholenoylglycine?
The CAS number of 3-Hydroxy-5-cholenoylglycine is 69776-17-6.
What is the molecular formula of 3-Hydroxy-5-cholenoylglycine?
The molecular formula of 3-Hydroxy-5-cholenoylglycine is C26H41NO4.
What is the molecular weight of 3-Hydroxy-5-cholenoylglycine?
The molecular weight of 3-Hydroxy-5-cholenoylglycine is 431.30 g/mol.
Where can I buy 3-Hydroxy-5-cholenoylglycine?
You can request a quote for 3-Hydroxy-5-cholenoylglycine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-5-cholenoylglycine?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-5-cholenoylglycine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.