Ethynylestradiol-3-o-glucuronide
TL;DR: Ethynylestradiol-3-o-glucuronide (CAS 60134-76-1) is a chemical compound with molecular formula C26H32O8 and molecular weight 472.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-[[(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Ethynylestradiol-3-o-glucuronide, Ethynyl estradiol 3-b-D-glucuronide, 17alpha-Ethynylestradiol 3-glucuronide, Ethynyl Estradiol 3-beta-D-Glucuronide, Ethynylestradiol 3--D-Glucuronide
| Molecular Formula | C26H32O8 |
|---|---|
| Molecular Weight | 472.21 g/mol |
| LogP | 1.178 |
| Topological Polar Surface Area | 136.68 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 472.20972 |
| Heavy Atoms | 34 |
| Complexity | 1018.5433 |
Chemical Identifiers
| CAS Number | 60134-76-1 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O |
Product Overview
Ethynylestradiol-3-o-glucuronide (CAS 60134-76-1), with molecular formula C26H32O8 and molecular weight 472.21 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[[(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Ethynylestradiol-3-o-glucuronide
Property Insights of Ethynylestradiol-3-o-glucuronide
The XLogP value of 1.178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethynylestradiol-3-o-glucuronide. The TPSA of 136.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethynylestradiol-3-o-glucuronide. Following Lipinski's Rule of Five, Ethynylestradiol-3-o-glucuronide has 5 hydrogen bond donor(s) and 7 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 Ethynylestradiol-3-o-glucuronide?
The CAS number of Ethynylestradiol-3-o-glucuronide is 60134-76-1.
What is the molecular formula of Ethynylestradiol-3-o-glucuronide?
The molecular formula of Ethynylestradiol-3-o-glucuronide is C26H32O8.
What is the molecular weight of Ethynylestradiol-3-o-glucuronide?
The molecular weight of Ethynylestradiol-3-o-glucuronide is 472.21 g/mol.
Where can I buy Ethynylestradiol-3-o-glucuronide?
You can request a quote for Ethynylestradiol-3-o-glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethynylestradiol-3-o-glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Ethynylestradiol-3-o-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.