3-alpha,20-alpha-Dihydroxy-5-beta-pregnane 3-glucuronide
TL;DR: 3-alpha,20-alpha-Dihydroxy-5-beta-pregnane 3-glucuronide (CAS 1852-49-9) is a chemical compound with molecular formula C27H44O8 and molecular weight 496.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trihydroxy-6-[[17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
Also Known As: Pregnanediol-3-glucuronide, Pregnanediol 3-Glucuronide, Pregnanediol-3alpha-glucuronide, pregnanediol-3 alpha-glucuronide, Pregnanediol 3a-O-b-D-glucuronide
| Molecular Formula | C27H44O8 |
|---|---|
| Molecular Weight | 496.30 g/mol |
| LogP | 2.3035 |
| Topological Polar Surface Area | 136.68 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 496.30362 |
| Heavy Atoms | 35 |
| Complexity | 804.0508 |
Chemical Identifiers
| CAS Number | 1852-49-9 |
|---|---|
| SMILES | CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C)O |
Product Overview
3-alpha,20-alpha-Dihydroxy-5-beta-pregnane 3-glucuronide (CAS 1852-49-9), with molecular formula C27H44O8 and molecular weight 496.30 g/mol. IUPAC: 3,4,5-trihydroxy-6-[[17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid.
Chemical Property Profile of 3-alpha,20-alpha-Dihydroxy-5-beta-pregnane 3-glucuronide
Property Insights of 3-alpha,20-alpha-Dihydroxy-5-beta-pregnane 3-glucuronide
The XLogP value of 2.3035 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-alpha,20-alpha-Dihydroxy-5-beta-pregnane 3-glucuronide. The TPSA of 136.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-alpha,20-alpha-Dihydroxy-5-beta-pregnane 3-glucuronide. Following Lipinski's Rule of Five, 3-alpha,20-alpha-Dihydroxy-5-beta-pregnane 3-glucuronide has 5 hydrogen bond donor(s) and 7 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 3-alpha,20-alpha-Dihydroxy-5-beta-pregnane 3-glucuronide?
The CAS number of 3-alpha,20-alpha-Dihydroxy-5-beta-pregnane 3-glucuronide is 1852-49-9.
What is the molecular formula of 3-alpha,20-alpha-Dihydroxy-5-beta-pregnane 3-glucuronide?
The molecular formula of 3-alpha,20-alpha-Dihydroxy-5-beta-pregnane 3-glucuronide is C27H44O8.
What is the molecular weight of 3-alpha,20-alpha-Dihydroxy-5-beta-pregnane 3-glucuronide?
The molecular weight of 3-alpha,20-alpha-Dihydroxy-5-beta-pregnane 3-glucuronide is 496.30 g/mol.
Where can I buy 3-alpha,20-alpha-Dihydroxy-5-beta-pregnane 3-glucuronide?
You can request a quote for 3-alpha,20-alpha-Dihydroxy-5-beta-pregnane 3-glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-alpha,20-alpha-Dihydroxy-5-beta-pregnane 3-glucuronide?
Yes, KEHONG BIO provides custom synthesis services for 3-alpha,20-alpha-Dihydroxy-5-beta-pregnane 3-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.