Dehydroepiandrosterone 3-Glucuronide
TL;DR: Dehydroepiandrosterone 3-Glucuronide (CAS 3331-64-4) is a chemical compound with molecular formula C25H36O8 and molecular weight 464.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-6-[[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Dehydroepiandrosterone 3-glucuronide, DHEA-G, Dehydroisoandrosterone 3-glucuronide, Dehydroepiandrosterone Glucuronide, Dehydroepiandrosterone 3-glucuronoside
| Molecular Formula | C25H36O8 |
|---|---|
| Molecular Weight | 464.24 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 464.24103 |
| Heavy Atoms | 33 |
| Complexity | 855.0 |
Chemical Identifiers
| CAS Number | 3331-64-4 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[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 |
| InChIKey | GLONBVCUAVPJFV-PCDHEYSGSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dehydroepiandrosterone 3-Glucuronide (CAS 3331-64-4), with molecular formula C25H36O8 and molecular weight 464.24 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Dehydroepiandrosterone 3-Glucuronide
Property Insights of Dehydroepiandrosterone 3-Glucuronide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dehydroepiandrosterone 3-Glucuronide. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dehydroepiandrosterone 3-Glucuronide. Following Lipinski's Rule of Five, Dehydroepiandrosterone 3-Glucuronide has 4 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 Dehydroepiandrosterone 3-Glucuronide?
The CAS number of Dehydroepiandrosterone 3-Glucuronide is 3331-64-4.
What is the molecular formula of Dehydroepiandrosterone 3-Glucuronide?
The molecular formula of Dehydroepiandrosterone 3-Glucuronide is C25H36O8.
What is the molecular weight of Dehydroepiandrosterone 3-Glucuronide?
The molecular weight of Dehydroepiandrosterone 3-Glucuronide is 464.24 g/mol.
Where can I buy Dehydroepiandrosterone 3-Glucuronide?
You can request a quote for Dehydroepiandrosterone 3-Glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydroepiandrosterone 3-Glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Dehydroepiandrosterone 3-Glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.