7,12-二羟基-3-氧代胆烷-24-酸甲酯
TL;DR: 7,12-二羟基-3-氧代胆烷-24-酸甲酯 (CAS 14772-92-0) is a chemical compound with molecular formula C25H40O5 and molecular weight 420.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,12-二羟基-3-氧代胆烷-24-酸甲酯
methyl 4-(7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate
Also Known As: Methyl 7,12-dihydroxy-3-oxocholan-24-oate, Methyl 3-Keto-7a,12a-dihydroxy-5a-cholanoate, Methyl 3-Keto-7 ,12 -dihydroxy-5 -cholanoate, 5.alpha.-Cholan-24-oic acid, 7.alpha.,12.alpha.-dihydroxy-3-oxo-, methyl ester, methyl 4-(7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate
| Molecular Formula | C25H40O5 |
|---|---|
| Molecular Weight | 420.29 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.28757 |
| Heavy Atoms | 30 |
| Complexity | 691.0 |
Chemical Identifiers
| CAS Number | 14772-92-0 |
|---|---|
| SMILES | CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC(=O)C4)C)O)O)C |
| InChIKey | CIZOGAIBGCZRCL-UHFFFAOYSA-N |
Product Overview
7,12-二羟基-3-氧代胆烷-24-酸甲酯 (CAS 14772-92-0), with molecular formula C25H40O5 and molecular weight 420.29 g/mol. IUPAC: methyl 4-(7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate.
Chemical Property Profile of 7,12-二羟基-3-氧代胆烷-24-酸甲酯
Property Insights of 7,12-二羟基-3-氧代胆烷-24-酸甲酯
The XLogP value of 3.5 indicates that 7,12-二羟基-3-氧代胆烷-24-酸甲酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,12-二羟基-3-氧代胆烷-24-酸甲酯. Following Lipinski's Rule of Five, 7,12-二羟基-3-氧代胆烷-24-酸甲酯 has 2 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 7,12-二羟基-3-氧代胆烷-24-酸甲酯?
The CAS number of 7,12-二羟基-3-氧代胆烷-24-酸甲酯 is 14772-92-0.
What is the molecular formula of 7,12-二羟基-3-氧代胆烷-24-酸甲酯?
The molecular formula of 7,12-二羟基-3-氧代胆烷-24-酸甲酯 is C25H40O5.
What is the molecular weight of 7,12-二羟基-3-氧代胆烷-24-酸甲酯?
The molecular weight of 7,12-二羟基-3-氧代胆烷-24-酸甲酯 is 420.29 g/mol.
Where can I buy 7,12-二羟基-3-氧代胆烷-24-酸甲酯?
You can request a quote for 7,12-二羟基-3-氧代胆烷-24-酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,12-二羟基-3-氧代胆烷-24-酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 7,12-二羟基-3-氧代胆烷-24-酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.