Benzenepropanoic acid, 2,5-dimethoxy-, ethyl ester
TL;DR: Benzenepropanoic acid, 2,5-dimethoxy-, ethyl ester (CAS 72018-06-5) is a chemical compound with molecular formula C13H18O4 and molecular weight 238.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2,5-dimethoxyphenyl)propanoate
Also Known As: Ethyl 2,5-dimethoxyhydrocinnamate, Ethyl 3-(2,5-dimethoxyphenyl)propanoate, 3- -PROPIONICACIDETHYLESTER, Benzenepropanoic acid, 2,5-dimethoxy-, ethyl ester, 2,5-Dimethoxybenzenepropanoic acid ethyl ester
| Molecular Formula | C13H18O4 |
|---|---|
| Molecular Weight | 238.12 g/mol |
| LogP | 2.1995 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 238.12051 |
| Heavy Atoms | 17 |
| Complexity | 373.68225 |
Chemical Identifiers
| CAS Number | 72018-06-5 |
|---|---|
| SMILES | CCOC(=O)CCC1=C(C=CC(=C1)OC)OC |
Product Overview
Benzenepropanoic acid, 2,5-dimethoxy-, ethyl ester (CAS 72018-06-5), with molecular formula C13H18O4 and molecular weight 238.12 g/mol. IUPAC: ethyl 3-(2,5-dimethoxyphenyl)propanoate.
Chemical Property Profile of Benzenepropanoic acid, 2,5-dimethoxy-, ethyl ester
Property Insights of Benzenepropanoic acid, 2,5-dimethoxy-, ethyl ester
The XLogP value of 2.1995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenepropanoic acid, 2,5-dimethoxy-, ethyl ester. With a topological polar surface area (TPSA) of 44.76 Ų, Benzenepropanoic acid, 2,5-dimethoxy-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepropanoic acid, 2,5-dimethoxy-, ethyl 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-, ethyl ester?
The CAS number of Benzenepropanoic acid, 2,5-dimethoxy-, ethyl ester is 72018-06-5.
What is the molecular formula of Benzenepropanoic acid, 2,5-dimethoxy-, ethyl ester?
The molecular formula of Benzenepropanoic acid, 2,5-dimethoxy-, ethyl ester is C13H18O4.
What is the molecular weight of Benzenepropanoic acid, 2,5-dimethoxy-, ethyl ester?
The molecular weight of Benzenepropanoic acid, 2,5-dimethoxy-, ethyl ester is 238.12 g/mol.
Where can I buy Benzenepropanoic acid, 2,5-dimethoxy-, ethyl ester?
You can request a quote for Benzenepropanoic acid, 2,5-dimethoxy-, ethyl 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-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanoic acid, 2,5-dimethoxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.