Pregnanediol-3 alpha-glucuronide
TL;DR: Pregnanediol-3 alpha-glucuronide (CAS 38055-17-3) 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.
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5R,8R,9S,10S,13S,14S,17S)-17-[(1S)-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 glucuronide, Pregnanediol-3alpha-glucuronide, Pregnanediol 3-O-glucuronide
| Molecular Formula | C27H44O8 |
|---|---|
| Molecular Weight | 496.30 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 496.30362 |
| Heavy Atoms | 35 |
| Complexity | 806.0 |
Chemical Identifiers
| CAS Number | 38055-17-3 |
|---|---|
| SMILES | C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C)O |
| InChIKey | ZFFFJLDTCLJDHL-JQYCEVDMSA-N |
Product Overview
Pregnanediol-3 alpha-glucuronide (CAS 38055-17-3), with molecular formula C27H44O8 and molecular weight 496.30 g/mol. IUPAC: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5R,8R,9S,10S,13S,14S,17S)-17-[(1S)-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 Pregnanediol-3 alpha-glucuronide
Property Insights of Pregnanediol-3 alpha-glucuronide
The XLogP value of 3.8 indicates that Pregnanediol-3 alpha-glucuronide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pregnanediol-3 alpha-glucuronide. Following Lipinski's Rule of Five, Pregnanediol-3 alpha-glucuronide has 5 hydrogen bond donor(s) and 8 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 Pregnanediol-3 alpha-glucuronide?
The CAS number of Pregnanediol-3 alpha-glucuronide is 38055-17-3.
What is the molecular formula of Pregnanediol-3 alpha-glucuronide?
The molecular formula of Pregnanediol-3 alpha-glucuronide is C27H44O8.
What is the molecular weight of Pregnanediol-3 alpha-glucuronide?
The molecular weight of Pregnanediol-3 alpha-glucuronide is 496.30 g/mol.
Where can I buy Pregnanediol-3 alpha-glucuronide?
You can request a quote for Pregnanediol-3 alpha-glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregnanediol-3 alpha-glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Pregnanediol-3 alpha-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.