Estriol glucuronide
TL;DR: Estriol glucuronide (CAS 28808-07-3) is a chemical compound with molecular formula C24H32O9 and molecular weight 464.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R)-6-[[(8R,9S,13S,14S,16R,17R)-16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Estriol glucuronide, Oestriol glucuronide, SID:135727682, (2S,3S,4S,5R)-6-[[(8R,9S,13S,14S,16R,17R)-16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid, (2S,3S,4S,5R)-6-[[(8S,9S,13S,14S,16R,17R)-16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid
| Molecular Formula | C24H32O9 |
|---|---|
| Molecular Weight | 464.20 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 464.20462 |
| Heavy Atoms | 33 |
| Complexity | 747.0 |
Chemical Identifiers
| CAS Number | 28808-07-3 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)OC5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O |
| InChIKey | UZKIAJMSMKLBQE-SUPAOECSSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Estriol glucuronide (CAS 28808-07-3), with molecular formula C24H32O9 and molecular weight 464.20 g/mol. IUPAC: (2S,3S,4S,5R)-6-[[(8R,9S,13S,14S,16R,17R)-16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Estriol glucuronide
Property Insights of Estriol glucuronide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Estriol glucuronide. The TPSA of 157.0 Ų indicates high polarity, suggesting Estriol glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Estriol glucuronide has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Estriol glucuronide?
The CAS number of Estriol glucuronide is 28808-07-3.
What is the molecular formula of Estriol glucuronide?
The molecular formula of Estriol glucuronide is C24H32O9.
What is the molecular weight of Estriol glucuronide?
The molecular weight of Estriol glucuronide is 464.20 g/mol.
Where can I buy Estriol glucuronide?
You can request a quote for Estriol glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estriol glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Estriol glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.