3,7,12-三羟基-7-甲基胆烷酸
TL;DR: 3,7,12-三羟基-7-甲基胆烷酸 (CAS 102362-49-2) is a chemical compound with molecular formula C25H42O5 and molecular weight 422.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7,12-三羟基-7-甲基胆烷酸
(4R)-4-[(3R,5S,7R,8R,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-7,10,13-trimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
Also Known As: 7-Methylcholic acid, 7-Methylursocholic acid, 7beta-Methylcholic acid, 7 beta-methylcholic acid, 7alpha-Methylursocholic acid
| Molecular Formula | C25H42O5 |
|---|---|
| Molecular Weight | 422.30 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.30322 |
| Heavy Atoms | 30 |
| Complexity | 680.0 |
Chemical Identifiers
| CAS Number | 102362-49-2 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](CC3[C@H]2[C@](C[C@H]4[C@@]3(CC[C@H](C4)O)C)(C)O)O)C |
| InChIKey | YSLVYCWXAPPBIQ-HQQQGJIFSA-N |
Product Overview
3,7,12-三羟基-7-甲基胆烷酸 (CAS 102362-49-2), with molecular formula C25H42O5 and molecular weight 422.30 g/mol. IUPAC: (4R)-4-[(3R,5S,7R,8R,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-7,10,13-trimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid.
Chemical Property Profile of 3,7,12-三羟基-7-甲基胆烷酸
Property Insights of 3,7,12-三羟基-7-甲基胆烷酸
The XLogP value of 3.8 indicates that 3,7,12-三羟基-7-甲基胆烷酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7,12-三羟基-7-甲基胆烷酸. Following Lipinski's Rule of Five, 3,7,12-三羟基-7-甲基胆烷酸 has 4 hydrogen bond donor(s) and 5 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 3,7,12-三羟基-7-甲基胆烷酸?
The CAS number of 3,7,12-三羟基-7-甲基胆烷酸 is 102362-49-2.
What is the molecular formula of 3,7,12-三羟基-7-甲基胆烷酸?
The molecular formula of 3,7,12-三羟基-7-甲基胆烷酸 is C25H42O5.
What is the molecular weight of 3,7,12-三羟基-7-甲基胆烷酸?
The molecular weight of 3,7,12-三羟基-7-甲基胆烷酸 is 422.30 g/mol.
Where can I buy 3,7,12-三羟基-7-甲基胆烷酸?
You can request a quote for 3,7,12-三羟基-7-甲基胆烷酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7,12-三羟基-7-甲基胆烷酸?
Yes, KEHONG BIO provides custom synthesis services for 3,7,12-三羟基-7-甲基胆烷酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.