Estriol-3-carboxymethyl ether
TL;DR: Estriol-3-carboxymethyl ether (CAS 80721-13-7) is a chemical compound with molecular formula C20H26O5 and molecular weight 346.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(13S,16R,17R)-16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]acetic acid
Also Known As: Estriol-3-carboxymethyl ether, E-3-Cme, KST-1B8698, {[(8xi,9xi,14xi,16, A,17
| Molecular Formula | C20H26O5 |
|---|---|
| Molecular Weight | 346.18 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.178 |
| Heavy Atoms | 25 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 80721-13-7 |
|---|---|
| SMILES | C[C@]12CCC3C(C1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)OCC(=O)O |
| InChIKey | SZBWYTRVLQFZGU-NXRPMPOCSA-N |
Product Overview
Estriol-3-carboxymethyl ether (CAS 80721-13-7), with molecular formula C20H26O5 and molecular weight 346.18 g/mol. IUPAC: 2-[[(13S,16R,17R)-16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]acetic acid.
Chemical Property Profile of Estriol-3-carboxymethyl ether
Property Insights of Estriol-3-carboxymethyl ether
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Estriol-3-carboxymethyl ether. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Estriol-3-carboxymethyl ether. Following Lipinski's Rule of Five, Estriol-3-carboxymethyl ether has 3 hydrogen bond donor(s) and 5 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 Estriol-3-carboxymethyl ether?
The CAS number of Estriol-3-carboxymethyl ether is 80721-13-7.
What is the molecular formula of Estriol-3-carboxymethyl ether?
The molecular formula of Estriol-3-carboxymethyl ether is C20H26O5.
What is the molecular weight of Estriol-3-carboxymethyl ether?
The molecular weight of Estriol-3-carboxymethyl ether is 346.18 g/mol.
Where can I buy Estriol-3-carboxymethyl ether?
You can request a quote for Estriol-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 Estriol-3-carboxymethyl ether?
Yes, KEHONG BIO provides custom synthesis services for Estriol-3-carboxymethyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.