Etiocholanolone, 3-glucuronide
TL;DR: Etiocholanolone, 3-glucuronide (CAS 35259-60-0) is a chemical compound with molecular formula C25H38O9 and molecular weight 482.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trihydroxy-6-[(11-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl)oxy]oxane-2-carboxylic acid
Also Known As: A-Androstane, Etiocholanolone, 3-glucuronide, 11, A-Hydroxyetiocholanolone glucuronide, Androsterone 11.beta.-hydroxy-, 3-glucuronide
| Molecular Formula | C25H38O9 |
|---|---|
| Molecular Weight | 482.25 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 482.2516 |
| Heavy Atoms | 34 |
| Complexity | 833.0 |
Chemical Identifiers
| CAS Number | 35259-60-0 |
|---|---|
| SMILES | CC12CCC(CC1CCC3C2C(CC4(C3CCC4=O)C)O)OC5C(C(C(C(O5)C(=O)O)O)O)O |
| InChIKey | BRPLOVMHAFXVOQ-UHFFFAOYSA-N |
Product Overview
Etiocholanolone, 3-glucuronide (CAS 35259-60-0), with molecular formula C25H38O9 and molecular weight 482.25 g/mol. IUPAC: 3,4,5-trihydroxy-6-[(11-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl)oxy]oxane-2-carboxylic acid.
Chemical Property Profile of Etiocholanolone, 3-glucuronide
Property Insights of Etiocholanolone, 3-glucuronide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Etiocholanolone, 3-glucuronide. The TPSA of 154.0 Ų indicates high polarity, suggesting Etiocholanolone, 3-glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Etiocholanolone, 3-glucuronide has 5 hydrogen bond donor(s) and 9 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 Etiocholanolone, 3-glucuronide?
The CAS number of Etiocholanolone, 3-glucuronide is 35259-60-0.
What is the molecular formula of Etiocholanolone, 3-glucuronide?
The molecular formula of Etiocholanolone, 3-glucuronide is C25H38O9.
What is the molecular weight of Etiocholanolone, 3-glucuronide?
The molecular weight of Etiocholanolone, 3-glucuronide is 482.25 g/mol.
Where can I buy Etiocholanolone, 3-glucuronide?
You can request a quote for Etiocholanolone, 3-glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Etiocholanolone, 3-glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Etiocholanolone, 3-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.