2-Methoxyestrone 3-glucuronide
TL;DR: 2-Methoxyestrone 3-glucuronide (CAS 25577-70-2) is a chemical compound with molecular formula C25H32O9 and molecular weight 476.20 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)-2-methoxy-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: 2-Methoxyestrone 3-glucuronide, 2-Methoxyestrone-3-glucuronide, 2-MeOE1 3G, 2-methoxyestrone 3-glucosiduronic acid, 2-methoxyestrone-3-glucuronoside
| Molecular Formula | C25H32O9 |
|---|---|
| Molecular Weight | 476.20 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 476.20462 |
| Heavy Atoms | 34 |
| Complexity | 803.0 |
Chemical Identifiers
| CAS Number | 25577-70-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=C(C=C34)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O |
| InChIKey | NZTHZDNDYACBSX-FJNWEKAQSA-N |
Product Overview
2-Methoxyestrone 3-glucuronide (CAS 25577-70-2), with molecular formula C25H32O9 and molecular weight 476.20 g/mol. IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(8R,9S,13S,14S)-2-methoxy-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 2-Methoxyestrone 3-glucuronide
Property Insights of 2-Methoxyestrone 3-glucuronide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxyestrone 3-glucuronide. The TPSA of 143.0 Ų indicates high polarity, suggesting 2-Methoxyestrone 3-glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Methoxyestrone 3-glucuronide has 4 hydrogen bond donor(s) and 9 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 2-Methoxyestrone 3-glucuronide?
The CAS number of 2-Methoxyestrone 3-glucuronide is 25577-70-2.
What is the molecular formula of 2-Methoxyestrone 3-glucuronide?
The molecular formula of 2-Methoxyestrone 3-glucuronide is C25H32O9.
What is the molecular weight of 2-Methoxyestrone 3-glucuronide?
The molecular weight of 2-Methoxyestrone 3-glucuronide is 476.20 g/mol.
Where can I buy 2-Methoxyestrone 3-glucuronide?
You can request a quote for 2-Methoxyestrone 3-glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxyestrone 3-glucuronide?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxyestrone 3-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.