Benzenepropanoic acid, 2,5-dimethoxy-, methyl ester
TL;DR: Benzenepropanoic acid, 2,5-dimethoxy-, methyl ester (CAS 62397-61-9) is a chemical compound with molecular formula C12H16O4 and molecular weight 224.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2,5-dimethoxyphenyl)propanoate
Also Known As: Methyl 3-(2,5-dimethoxyphenyl)propanoate, Methyl 2,5-dimethoxyhydrocinnamate, Benzenepropanoic acid, 2,5-dimethoxy-, methyl ester, 2,5-Dimethoxybenzenepropanoic acid methyl ester, benzenepropanoic acid,2,5-dimethoxy-,methyl ester
| Molecular Formula | C12H16O4 |
|---|---|
| Molecular Weight | 224.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 224.10486 |
| Heavy Atoms | 16 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 62397-61-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)CCC(=O)OC |
| InChIKey | XREGTKPNEYVQRA-UHFFFAOYSA-N |
Product Overview
Benzenepropanoic acid, 2,5-dimethoxy-, methyl ester (CAS 62397-61-9), with molecular formula C12H16O4 and molecular weight 224.10 g/mol. IUPAC: methyl 3-(2,5-dimethoxyphenyl)propanoate.
Chemical Property Profile of Benzenepropanoic acid, 2,5-dimethoxy-, methyl ester
Property Insights of Benzenepropanoic acid, 2,5-dimethoxy-, methyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenepropanoic acid, 2,5-dimethoxy-, methyl ester. With a topological polar surface area (TPSA) of 44.8 Ų, Benzenepropanoic acid, 2,5-dimethoxy-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepropanoic acid, 2,5-dimethoxy-, 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 Benzenepropanoic acid, 2,5-dimethoxy-, methyl ester?
The CAS number of Benzenepropanoic acid, 2,5-dimethoxy-, methyl ester is 62397-61-9.
What is the molecular formula of Benzenepropanoic acid, 2,5-dimethoxy-, methyl ester?
The molecular formula of Benzenepropanoic acid, 2,5-dimethoxy-, methyl ester is C12H16O4.
What is the molecular weight of Benzenepropanoic acid, 2,5-dimethoxy-, methyl ester?
The molecular weight of Benzenepropanoic acid, 2,5-dimethoxy-, methyl ester is 224.10 g/mol.
Where can I buy Benzenepropanoic acid, 2,5-dimethoxy-, methyl ester?
You can request a quote for Benzenepropanoic acid, 2,5-dimethoxy-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanoic acid, 2,5-dimethoxy-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanoic acid, 2,5-dimethoxy-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.