Estriol 16-glucuronide
TL;DR: Estriol 16-glucuronide (CAS 1852-50-2) 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,6R)-6-[[(8R,9S,13S,14S,16R,17R)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: 16-Glucuronide-estriol, Estriol 16-glucuronide, Estriol-16alpha-glucuronide, Estriol-16-glucosiduronate, Estriol-16-Glucuronide
| Molecular Formula | C24H32O9 |
|---|---|
| Molecular Weight | 464.20 g/mol |
| LogP | 1.1 |
| 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 | 1852-50-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=C3C=CC(=C5)O |
| InChIKey | FQYGGFDZJFIDPU-JRSYHJKYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Estriol 16-glucuronide (CAS 1852-50-2), with molecular formula C24H32O9 and molecular weight 464.20 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[[(8R,9S,13S,14S,16R,17R)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Estriol 16-glucuronide
Property Insights of Estriol 16-glucuronide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Estriol 16-glucuronide. The TPSA of 157.0 Ų indicates high polarity, suggesting Estriol 16-glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Estriol 16-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 16-glucuronide?
The CAS number of Estriol 16-glucuronide is 1852-50-2.
What is the molecular formula of Estriol 16-glucuronide?
The molecular formula of Estriol 16-glucuronide is C24H32O9.
What is the molecular weight of Estriol 16-glucuronide?
The molecular weight of Estriol 16-glucuronide is 464.20 g/mol.
Where can I buy Estriol 16-glucuronide?
You can request a quote for Estriol 16-glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estriol 16-glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Estriol 16-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.