12α-羟基-3-氧代胆-4,6-二烯-24-酸
TL;DR: 12α-羟基-3-氧代胆-4,6-二烯-24-酸 (CAS 157184-36-6) is a chemical compound with molecular formula C24H34O4 and molecular weight 386.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12α-羟基-3-氧代胆-4,6-二烯-24-酸
(4R)-4-[(8R,9S,10R,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
Also Known As: Deuterium bromide, 12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic Acid, 12alpha-Hydroxy-3-oxochola-4,6-dienoate, 12alpha-Hydroxy-3-oxochola-4,6-dienic acid, 12alpha-hydroxy-3-oxochola-4,6-dienoic acid
| Molecular Formula | C24H34O4 |
|---|---|
| Molecular Weight | 386.25 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.2457 |
| Heavy Atoms | 28 |
| Complexity | 737.0 |
Chemical Identifiers
| CAS Number | 157184-36-6 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2C=CC4=CC(=O)CC[C@]34C)O)C |
| InChIKey | DJVAMCYXFUWMLS-QUPGBHKMSA-N |
Product Overview
12α-羟基-3-氧代胆-4,6-二烯-24-酸 (CAS 157184-36-6), with molecular formula C24H34O4 and molecular weight 386.25 g/mol. IUPAC: (4R)-4-[(8R,9S,10R,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid.
Chemical Property Profile of 12α-羟基-3-氧代胆-4,6-二烯-24-酸
Property Insights of 12α-羟基-3-氧代胆-4,6-二烯-24-酸
The XLogP value of 3.8 indicates that 12α-羟基-3-氧代胆-4,6-二烯-24-酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 12α-羟基-3-氧代胆-4,6-二烯-24-酸. Following Lipinski's Rule of Five, 12α-羟基-3-氧代胆-4,6-二烯-24-酸 has 2 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 12α-羟基-3-氧代胆-4,6-二烯-24-酸?
The CAS number of 12α-羟基-3-氧代胆-4,6-二烯-24-酸 is 157184-36-6.
What is the molecular formula of 12α-羟基-3-氧代胆-4,6-二烯-24-酸?
The molecular formula of 12α-羟基-3-氧代胆-4,6-二烯-24-酸 is C24H34O4.
What is the molecular weight of 12α-羟基-3-氧代胆-4,6-二烯-24-酸?
The molecular weight of 12α-羟基-3-氧代胆-4,6-二烯-24-酸 is 386.25 g/mol.
Where can I buy 12α-羟基-3-氧代胆-4,6-二烯-24-酸?
You can request a quote for 12α-羟基-3-氧代胆-4,6-二烯-24-酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12α-羟基-3-氧代胆-4,6-二烯-24-酸?
Yes, KEHONG BIO provides custom synthesis services for 12α-羟基-3-氧代胆-4,6-二烯-24-酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.