3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester
TL;DR: 3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester (CAS 64821-29-0) is a chemical compound with molecular formula C22H26O4 and molecular weight 354.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (13S,14R,17S)-3,6-dimethoxy-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthrene-17-carboxylate
Also Known As: 3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester, J2.791.708I, methyl (13S,14R,17S)-3,6-dimethoxy-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthrene-17-carboxylate, methyl(17, A)-3,6-dimethoxyestra-1,3,5,7,9-pentaene-17-carboxylate
| Molecular Formula | C22H26O4 |
|---|---|
| Molecular Weight | 354.18 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.1831 |
| Heavy Atoms | 26 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 64821-29-0 |
|---|---|
| SMILES | C[C@]12CCC3=C4C=CC(=CC4=C(C=C3[C@@H]1CC[C@@H]2C(=O)OC)OC)OC |
| InChIKey | RJVUHVSRJUDNRA-JQVVWYNYSA-N |
Product Overview
3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester (CAS 64821-29-0), with molecular formula C22H26O4 and molecular weight 354.18 g/mol. IUPAC: methyl (13S,14R,17S)-3,6-dimethoxy-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthrene-17-carboxylate.
Chemical Property Profile of 3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester
Property Insights of 3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester
The XLogP value of 4.9 indicates that 3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester has 0 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 3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester?
The CAS number of 3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester is 64821-29-0.
What is the molecular formula of 3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester?
The molecular formula of 3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester is C22H26O4.
What is the molecular weight of 3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester?
The molecular weight of 3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester is 354.18 g/mol.
Where can I buy 3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester?
You can request a quote for 3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.