去甲熊胆酸
TL;DR: 去甲熊胆酸 (CAS 139265-35-3) is a chemical compound with molecular formula C23H38O5 and molecular weight 394.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
去甲熊胆酸
(3R)-3-[(5R,10S,13R,17R)-2,3,3-trihydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butanoic acid
Also Known As: Norursocholic acid, (3R)-3-[(5R,10S,13R,17R)-2,3,3-trihydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butanoic acid, 24-Norcholan-23-oic acid, 3,7,12-trihydroxy-, (3alpha,5beta,7beta,12alpha)-, 3-(3alpha,7beta,12alpha-Trihydroxy-5beta,17beta-androstan-17-yl)butanoic acid, 3-(3 alpha, 7 beta, 12 alpha-trihydroxy-5 beta, 17 beta-androstan-17-yl)butanoic acid
| Molecular Formula | C23H38O5 |
|---|---|
| Molecular Weight | 394.27 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.2719 |
| Heavy Atoms | 28 |
| Complexity | 632.0 |
Chemical Identifiers
| CAS Number | 139265-35-3 |
|---|---|
| SMILES | C[C@H](CC(=O)O)[C@H]1CCC2[C@@]1(CCC3C2CC[C@H]4[C@@]3(CC(C(C4)(O)O)O)C)C |
| InChIKey | UJNJKJCBHLCOMS-QTOAEDRXSA-N |
Product Overview
去甲熊胆酸 (CAS 139265-35-3), with molecular formula C23H38O5 and molecular weight 394.27 g/mol. IUPAC: (3R)-3-[(5R,10S,13R,17R)-2,3,3-trihydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butanoic acid.
Chemical Property Profile of 去甲熊胆酸
Property Insights of 去甲熊胆酸
The XLogP value of 4.2 indicates that 去甲熊胆酸 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 去甲熊胆酸. Following Lipinski's Rule of Five, 去甲熊胆酸 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 去甲熊胆酸?
The CAS number of 去甲熊胆酸 is 139265-35-3.
What is the molecular formula of 去甲熊胆酸?
The molecular formula of 去甲熊胆酸 is C23H38O5.
What is the molecular weight of 去甲熊胆酸?
The molecular weight of 去甲熊胆酸 is 394.27 g/mol.
Where can I buy 去甲熊胆酸?
You can request a quote for 去甲熊胆酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 去甲熊胆酸?
Yes, KEHONG BIO provides custom synthesis services for 去甲熊胆酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.