3.beta.-Acetoxy-dinor-5.alpha.-cholanic acid
TL;DR: 3.beta.-Acetoxy-dinor-5.alpha.-cholanic acid (CAS 58526-32-2) is a chemical compound with molecular formula C24H38O4 and molecular weight 390.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid
Also Known As: 3.beta.-Acetoxy-dinor-5.alpha.-cholanic acid, Pregnane-20-carboxylic acid, (3.beta.,5.alpha.,20S)-, 2-(3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid, Pregnane-20-carboxylic acid, 3-(acetyloxy)-, (3.beta.,5.alpha.,20S)-, 2-[7-(Acetyloxy)-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]propanoic acid
| Molecular Formula | C24H38O4 |
|---|---|
| Molecular Weight | 390.28 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.277 |
| Heavy Atoms | 28 |
| Complexity | 645.0 |
Chemical Identifiers
| CAS Number | 58526-32-2 |
|---|---|
| SMILES | CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C)C)C)C(=O)O |
| InChIKey | WQJAOHOTDRGEIW-UHFFFAOYSA-N |
Product Overview
3.beta.-Acetoxy-dinor-5.alpha.-cholanic acid (CAS 58526-32-2), with molecular formula C24H38O4 and molecular weight 390.28 g/mol. IUPAC: 2-(3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid.
Chemical Property Profile of 3.beta.-Acetoxy-dinor-5.alpha.-cholanic acid
Property Insights of 3.beta.-Acetoxy-dinor-5.alpha.-cholanic acid
The XLogP value of 6.3 indicates that 3.beta.-Acetoxy-dinor-5.alpha.-cholanic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3.beta.-Acetoxy-dinor-5.alpha.-cholanic acid. Following Lipinski's Rule of Five, 3.beta.-Acetoxy-dinor-5.alpha.-cholanic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3.beta.-Acetoxy-dinor-5.alpha.-cholanic acid?
The CAS number of 3.beta.-Acetoxy-dinor-5.alpha.-cholanic acid is 58526-32-2.
What is the molecular formula of 3.beta.-Acetoxy-dinor-5.alpha.-cholanic acid?
The molecular formula of 3.beta.-Acetoxy-dinor-5.alpha.-cholanic acid is C24H38O4.
What is the molecular weight of 3.beta.-Acetoxy-dinor-5.alpha.-cholanic acid?
The molecular weight of 3.beta.-Acetoxy-dinor-5.alpha.-cholanic acid is 390.28 g/mol.
Where can I buy 3.beta.-Acetoxy-dinor-5.alpha.-cholanic acid?
You can request a quote for 3.beta.-Acetoxy-dinor-5.alpha.-cholanic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3.beta.-Acetoxy-dinor-5.alpha.-cholanic acid?
Yes, KEHONG BIO provides custom synthesis services for 3.beta.-Acetoxy-dinor-5.alpha.-cholanic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.