1α-羟基脱氧胆酸
TL;DR: 1α-羟基脱氧胆酸 (CAS 70050-65-6) is a chemical compound with molecular formula C24H40O5 and molecular weight 408.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1α-羟基脱氧胆酸
(4R)-4-[(3S,5R,8S,9S,10S,12S,13R,14S)-1,3,12-trihydroxy-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: A-Hydroxydeoxycholic Acid, 1beta-hydroxydeoxycholic acid, KST-1A7854, 1,3,12-Trihydroxycholan-24-oic acid, (3
| Molecular Formula | C24H40O5 |
|---|---|
| Molecular Weight | 408.29 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.28757 |
| Heavy Atoms | 29 |
| Complexity | 637.0 |
Chemical Identifiers
| CAS Number | 70050-65-6 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)C1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(C(C[C@H](C4)O)O)C)O)C |
| InChIKey | DAKYVYUAVGJDRK-XBOLOKIXSA-N |
Product Overview
1α-羟基脱氧胆酸 (CAS 70050-65-6), with molecular formula C24H40O5 and molecular weight 408.29 g/mol. IUPAC: (4R)-4-[(3S,5R,8S,9S,10S,12S,13R,14S)-1,3,12-trihydroxy-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 1α-羟基脱氧胆酸
Property Insights of 1α-羟基脱氧胆酸
The XLogP value of 3.9 indicates that 1α-羟基脱氧胆酸 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 1α-羟基脱氧胆酸. Following Lipinski's Rule of Five, 1α-羟基脱氧胆酸 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 1α-羟基脱氧胆酸?
The CAS number of 1α-羟基脱氧胆酸 is 70050-65-6.
What is the molecular formula of 1α-羟基脱氧胆酸?
The molecular formula of 1α-羟基脱氧胆酸 is C24H40O5.
What is the molecular weight of 1α-羟基脱氧胆酸?
The molecular weight of 1α-羟基脱氧胆酸 is 408.29 g/mol.
Where can I buy 1α-羟基脱氧胆酸?
You can request a quote for 1α-羟基脱氧胆酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1α-羟基脱氧胆酸?
Yes, KEHONG BIO provides custom synthesis services for 1α-羟基脱氧胆酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.