Ethyl 2-chloro-3,4-dimethoxybenzoate
TL;DR: Ethyl 2-chloro-3,4-dimethoxybenzoate (CAS 175136-04-6) is a chemical compound with molecular formula C11H13ClO4 and molecular weight 244.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-chloro-3,4-dimethoxybenzoate
Also Known As: ethyl 2-chloro-3,4-dimethoxybenzoate, Maybridge1_002113, 2-Chloro-3,4-dimethoxy-benzoic acid ethyl ester, ethyl 2-chloro-3,4-dimethoxy-benzoate, Benzoic acid, 2-chloro-3,4-dimethoxy-, ethyl ester
| Molecular Formula | C11H13ClO4 |
|---|---|
| Molecular Weight | 244.05 g/mol |
| LogP | 2.5339 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.05023 |
| Heavy Atoms | 16 |
| Complexity | 389.8161 |
Chemical Identifiers
| CAS Number | 175136-04-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(C=C1)OC)OC)Cl |
Product Overview
Ethyl 2-chloro-3,4-dimethoxybenzoate (CAS 175136-04-6), with molecular formula C11H13ClO4 and molecular weight 244.05 g/mol. IUPAC: ethyl 2-chloro-3,4-dimethoxybenzoate.
Chemical Property Profile of Ethyl 2-chloro-3,4-dimethoxybenzoate
Property Insights of Ethyl 2-chloro-3,4-dimethoxybenzoate
The XLogP value of 2.5339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-chloro-3,4-dimethoxybenzoate. With a topological polar surface area (TPSA) of 44.76 Ų, Ethyl 2-chloro-3,4-dimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-chloro-3,4-dimethoxybenzoate 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 Ethyl 2-chloro-3,4-dimethoxybenzoate?
The CAS number of Ethyl 2-chloro-3,4-dimethoxybenzoate is 175136-04-6.
What is the molecular formula of Ethyl 2-chloro-3,4-dimethoxybenzoate?
The molecular formula of Ethyl 2-chloro-3,4-dimethoxybenzoate is C11H13ClO4.
What is the molecular weight of Ethyl 2-chloro-3,4-dimethoxybenzoate?
The molecular weight of Ethyl 2-chloro-3,4-dimethoxybenzoate is 244.05 g/mol.
Where can I buy Ethyl 2-chloro-3,4-dimethoxybenzoate?
You can request a quote for Ethyl 2-chloro-3,4-dimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-chloro-3,4-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-chloro-3,4-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.