3-Chloro-4-(cyanomethoxy)-5-ethoxybenzoic acid
TL;DR: 3-Chloro-4-(cyanomethoxy)-5-ethoxybenzoic acid (CAS 713103-75-4) is a chemical compound with molecular formula C11H10ClNO4 and molecular weight 255.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-(cyanomethoxy)-5-ethoxybenzoic acid
Also Known As: 3-chloro-4-(cyanomethoxy)-5-ethoxybenzoic acid, 3-chloro-4-(cyanomethoxy)-5-ethoxy-benzoic acid, Benzoic acid, 3-chloro-4-(cyanomethoxy)-5-ethoxy-
| Molecular Formula | C11H10ClNO4 |
|---|---|
| Molecular Weight | 255.03 g/mol |
| LogP | 2.33928 |
| Topological Polar Surface Area | 79.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.02983 |
| Heavy Atoms | 17 |
| Complexity | 467.27463 |
Chemical Identifiers
| CAS Number | 713103-75-4 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C(=O)O)Cl)OCC#N |
Product Overview
3-Chloro-4-(cyanomethoxy)-5-ethoxybenzoic acid (CAS 713103-75-4), with molecular formula C11H10ClNO4 and molecular weight 255.03 g/mol. IUPAC: 3-chloro-4-(cyanomethoxy)-5-ethoxybenzoic acid.
Chemical Property Profile of 3-Chloro-4-(cyanomethoxy)-5-ethoxybenzoic acid
Property Insights of 3-Chloro-4-(cyanomethoxy)-5-ethoxybenzoic acid
The XLogP value of 2.33928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-(cyanomethoxy)-5-ethoxybenzoic acid. The TPSA of 79.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-4-(cyanomethoxy)-5-ethoxybenzoic acid. Following Lipinski's Rule of Five, 3-Chloro-4-(cyanomethoxy)-5-ethoxybenzoic acid has 1 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-Chloro-4-(cyanomethoxy)-5-ethoxybenzoic acid?
The CAS number of 3-Chloro-4-(cyanomethoxy)-5-ethoxybenzoic acid is 713103-75-4.
What is the molecular formula of 3-Chloro-4-(cyanomethoxy)-5-ethoxybenzoic acid?
The molecular formula of 3-Chloro-4-(cyanomethoxy)-5-ethoxybenzoic acid is C11H10ClNO4.
What is the molecular weight of 3-Chloro-4-(cyanomethoxy)-5-ethoxybenzoic acid?
The molecular weight of 3-Chloro-4-(cyanomethoxy)-5-ethoxybenzoic acid is 255.03 g/mol.
Where can I buy 3-Chloro-4-(cyanomethoxy)-5-ethoxybenzoic acid?
You can request a quote for 3-Chloro-4-(cyanomethoxy)-5-ethoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-(cyanomethoxy)-5-ethoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-(cyanomethoxy)-5-ethoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.