Ethyl 4-amino-5-chloro-2-methoxybenzoate
TL;DR: Ethyl 4-amino-5-chloro-2-methoxybenzoate (CAS 35019-78-4) is a chemical compound with molecular formula C10H12ClNO3 and molecular weight 229.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-5-chloro-2-methoxybenzoate
Also Known As: ethyl 4-amino-5-chloro-2-methoxybenzoate, ethyl 4-amino-5-chloro-2-methoxy-benzoate, Benzoic acid, 4-amino-5-chloro-2-methoxy-, ethyl ester
| Molecular Formula | C10H12ClNO3 |
|---|---|
| Molecular Weight | 229.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.05057 |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 35019-78-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1OC)N)Cl |
| InChIKey | ABFMKNAYGAIHHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-amino-5-chloro-2-methoxybenzoate (CAS 35019-78-4), with molecular formula C10H12ClNO3 and molecular weight 229.05 g/mol. IUPAC: ethyl 4-amino-5-chloro-2-methoxybenzoate.
Chemical Property Profile of Ethyl 4-amino-5-chloro-2-methoxybenzoate
Property Insights of Ethyl 4-amino-5-chloro-2-methoxybenzoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-amino-5-chloro-2-methoxybenzoate. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-amino-5-chloro-2-methoxybenzoate. Following Lipinski's Rule of Five, Ethyl 4-amino-5-chloro-2-methoxybenzoate 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 Ethyl 4-amino-5-chloro-2-methoxybenzoate?
The CAS number of Ethyl 4-amino-5-chloro-2-methoxybenzoate is 35019-78-4.
What is the molecular formula of Ethyl 4-amino-5-chloro-2-methoxybenzoate?
The molecular formula of Ethyl 4-amino-5-chloro-2-methoxybenzoate is C10H12ClNO3.
What is the molecular weight of Ethyl 4-amino-5-chloro-2-methoxybenzoate?
The molecular weight of Ethyl 4-amino-5-chloro-2-methoxybenzoate is 229.05 g/mol.
Where can I buy Ethyl 4-amino-5-chloro-2-methoxybenzoate?
You can request a quote for Ethyl 4-amino-5-chloro-2-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-amino-5-chloro-2-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-amino-5-chloro-2-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.