Estradiol-3-carboxymethyl ether
TL;DR: Estradiol-3-carboxymethyl ether (CAS 41164-36-7) is a chemical compound with molecular formula C20H26O4 and molecular weight 330.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]acetic acid
Also Known As: EDCME, Estradiol-3-O-carboxymethyl ether, 3-O-(Carboxymethyl)estradiol, estradiol-3-oxyacetic acid, Epitope ID:697079
| Molecular Formula | C20H26O4 |
|---|---|
| Molecular Weight | 330.18 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.1831 |
| Heavy Atoms | 24 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 41164-36-7 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OCC(=O)O |
| InChIKey | DFDLVUUNTZHQBI-JGLNRKDHSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Estradiol-3-carboxymethyl ether (CAS 41164-36-7), with molecular formula C20H26O4 and molecular weight 330.18 g/mol. IUPAC: 2-[[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]acetic acid.
Chemical Property Profile of Estradiol-3-carboxymethyl ether
Property Insights of Estradiol-3-carboxymethyl ether
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Estradiol-3-carboxymethyl ether. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Estradiol-3-carboxymethyl ether. Following Lipinski's Rule of Five, Estradiol-3-carboxymethyl ether has 2 hydrogen bond donor(s) and 4 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 Estradiol-3-carboxymethyl ether?
The CAS number of Estradiol-3-carboxymethyl ether is 41164-36-7.
What is the molecular formula of Estradiol-3-carboxymethyl ether?
The molecular formula of Estradiol-3-carboxymethyl ether is C20H26O4.
What is the molecular weight of Estradiol-3-carboxymethyl ether?
The molecular weight of Estradiol-3-carboxymethyl ether is 330.18 g/mol.
Where can I buy Estradiol-3-carboxymethyl ether?
You can request a quote for Estradiol-3-carboxymethyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estradiol-3-carboxymethyl ether?
Yes, KEHONG BIO provides custom synthesis services for Estradiol-3-carboxymethyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.