2,3,6,7-四羟基胆烷酸
TL;DR: 2,3,6,7-四羟基胆烷酸 (CAS 83504-21-6) is a chemical compound with molecular formula C24H40O6 and molecular weight 424.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,6,7-四羟基胆烷酸
(4R)-4-[(8S,9S,10R,13R,14S,17R)-2,3,6,7-tetrahydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Also Known As: 2,3,6,7-Thca, 2,3,6,7-Tetrahydroxycholanoic acid, 2,3,6,7-tetrahydroxycholanoicacid, 2,3,6,7-tetrahydroxycholan-24-oic acid, Cholan-24-oic acid, 2,3,6,7-tetrahydroxy-
| Molecular Formula | C24H40O6 |
|---|---|
| Molecular Weight | 424.28 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.2825 |
| Heavy Atoms | 30 |
| Complexity | 668.0 |
Chemical Identifiers
| CAS Number | 83504-21-6 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C(C4[C@@]3(CC(C(C4)O)O)C)O)O)C |
| InChIKey | KAHZQJKLALFAGB-GJBXGSECSA-N |
Product Overview
2,3,6,7-四羟基胆烷酸 (CAS 83504-21-6), with molecular formula C24H40O6 and molecular weight 424.28 g/mol. IUPAC: (4R)-4-[(8S,9S,10R,13R,14S,17R)-2,3,6,7-tetrahydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid.
Chemical Property Profile of 2,3,6,7-四羟基胆烷酸
Property Insights of 2,3,6,7-四羟基胆烷酸
The XLogP value of 3.0 indicates that 2,3,6,7-四羟基胆烷酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,6,7-四羟基胆烷酸. Following Lipinski's Rule of Five, 2,3,6,7-四羟基胆烷酸 has 5 hydrogen bond donor(s) and 6 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 2,3,6,7-四羟基胆烷酸?
The CAS number of 2,3,6,7-四羟基胆烷酸 is 83504-21-6.
What is the molecular formula of 2,3,6,7-四羟基胆烷酸?
The molecular formula of 2,3,6,7-四羟基胆烷酸 is C24H40O6.
What is the molecular weight of 2,3,6,7-四羟基胆烷酸?
The molecular weight of 2,3,6,7-四羟基胆烷酸 is 424.28 g/mol.
Where can I buy 2,3,6,7-四羟基胆烷酸?
You can request a quote for 2,3,6,7-四羟基胆烷酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,6,7-四羟基胆烷酸?
Yes, KEHONG BIO provides custom synthesis services for 2,3,6,7-四羟基胆烷酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.