3-Oxo-3-(2,3,6-trimethoxyphenyl)propionic acid methyl ester
TL;DR: 3-Oxo-3-(2,3,6-trimethoxyphenyl)propionic acid methyl ester (CAS 677326-66-8) is a chemical compound with molecular formula C13H16O6 and molecular weight 268.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-oxo-3-(2,3,6-trimethoxyphenyl)propanoate
Also Known As: 3-OXO-3-(2,3,6-TRIMETHOXYPHENYL)PROPIONIC ACID METHYL ESTER, methyl 3-oxo-3-(2,3,6-trimethoxyphenyl)propanoate, 3-oxo-3-(2,3,6-trimethoxyphenyl)Propanoic acid methyl ester
| Molecular Formula | C13H16O6 |
|---|---|
| Molecular Weight | 268.09 g/mol |
| LogP | 1.4582 |
| Topological Polar Surface Area | 71.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 268.0947 |
| Heavy Atoms | 19 |
| Complexity | 480.26694 |
Chemical Identifiers
| CAS Number | 677326-66-8 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)OC)OC)C(=O)CC(=O)OC |
Product Overview
3-Oxo-3-(2,3,6-trimethoxyphenyl)propionic acid methyl ester (CAS 677326-66-8), with molecular formula C13H16O6 and molecular weight 268.09 g/mol. IUPAC: methyl 3-oxo-3-(2,3,6-trimethoxyphenyl)propanoate.
Chemical Property Profile of 3-Oxo-3-(2,3,6-trimethoxyphenyl)propionic acid methyl ester
Property Insights of 3-Oxo-3-(2,3,6-trimethoxyphenyl)propionic acid methyl ester
The XLogP value of 1.4582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-3-(2,3,6-trimethoxyphenyl)propionic acid methyl ester. The TPSA of 71.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Oxo-3-(2,3,6-trimethoxyphenyl)propionic acid methyl ester. Following Lipinski's Rule of Five, 3-Oxo-3-(2,3,6-trimethoxyphenyl)propionic acid methyl ester has 0 hydrogen bond donor(s) and 6 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-Oxo-3-(2,3,6-trimethoxyphenyl)propionic acid methyl ester?
The CAS number of 3-Oxo-3-(2,3,6-trimethoxyphenyl)propionic acid methyl ester is 677326-66-8.
What is the molecular formula of 3-Oxo-3-(2,3,6-trimethoxyphenyl)propionic acid methyl ester?
The molecular formula of 3-Oxo-3-(2,3,6-trimethoxyphenyl)propionic acid methyl ester is C13H16O6.
What is the molecular weight of 3-Oxo-3-(2,3,6-trimethoxyphenyl)propionic acid methyl ester?
The molecular weight of 3-Oxo-3-(2,3,6-trimethoxyphenyl)propionic acid methyl ester is 268.09 g/mol.
Where can I buy 3-Oxo-3-(2,3,6-trimethoxyphenyl)propionic acid methyl ester?
You can request a quote for 3-Oxo-3-(2,3,6-trimethoxyphenyl)propionic 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-Oxo-3-(2,3,6-trimethoxyphenyl)propionic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-3-(2,3,6-trimethoxyphenyl)propionic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.