Estrone 3-glucuronide
TL;DR: Estrone 3-glucuronide (CAS 2479-90-5) is a chemical compound with molecular formula C24H30O8 and molecular weight 446.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
Also Known As: Estrone 3-glucuronide, Estrone glucuronide, Estrone-3-glucuronide, Estrone-3-glucosiduronate, Estrone Impurity 7
| Molecular Formula | C24H30O8 |
|---|---|
| Molecular Weight | 446.19 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 446.19406 |
| Heavy Atoms | 32 |
| Complexity | 756.0 |
| Melting Point | 254.5 °C |
Chemical Identifiers
| CAS Number | 2479-90-5 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O |
| InChIKey | FJAZVHYPASAQKM-JBAURARKSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Estrone 3-glucuronide (CAS 2479-90-5), with molecular formula C24H30O8 and molecular weight 446.19 g/mol. IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid.
Chemical Property Profile of Estrone 3-glucuronide
Property Insights of Estrone 3-glucuronide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Estrone 3-glucuronide. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Estrone 3-glucuronide. Following Lipinski's Rule of Five, Estrone 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 Estrone 3-glucuronide?
The CAS number of Estrone 3-glucuronide is 2479-90-5.
What is the molecular formula of Estrone 3-glucuronide?
The molecular formula of Estrone 3-glucuronide is C24H30O8.
What is the molecular weight of Estrone 3-glucuronide?
The molecular weight of Estrone 3-glucuronide is 446.19 g/mol.
Where can I buy Estrone 3-glucuronide?
You can request a quote for Estrone 3-glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estrone 3-glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Estrone 3-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.