Methyl 3-Amino-4-chlorobenzoate
TL;DR: Methyl 3-Amino-4-chlorobenzoate (CAS 40872-87-5) is a chemical compound with molecular formula C8H8ClNO2 and molecular weight 185.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-4-chlorobenzoate
Also Known As: Methyl 3-amino-4-chlorobenzoate, 3-Amino-4-chlorobenzoic Acid Methyl Ester, Intedanib Impurity 5, Nintedanib Impurity 67, 3-Amino-4-Chlorobenzoic Acid Methylester
| Molecular Formula | C8H8ClNO2 |
|---|---|
| Molecular Weight | 185.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.02435 |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 40872-87-5 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)Cl)N |
| InChIKey | LOCJPOYKBUUVKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-Amino-4-chlorobenzoate (CAS 40872-87-5), with molecular formula C8H8ClNO2 and molecular weight 185.02 g/mol. IUPAC: methyl 3-amino-4-chlorobenzoate.
Chemical Property Profile of Methyl 3-Amino-4-chlorobenzoate
Property Insights of Methyl 3-Amino-4-chlorobenzoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-Amino-4-chlorobenzoate. With a topological polar surface area (TPSA) of 52.3 Ų, Methyl 3-Amino-4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-Amino-4-chlorobenzoate has 1 hydrogen bond donor(s) and 3 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 Methyl 3-Amino-4-chlorobenzoate?
The CAS number of Methyl 3-Amino-4-chlorobenzoate is 40872-87-5.
What is the molecular formula of Methyl 3-Amino-4-chlorobenzoate?
The molecular formula of Methyl 3-Amino-4-chlorobenzoate is C8H8ClNO2.
What is the molecular weight of Methyl 3-Amino-4-chlorobenzoate?
The molecular weight of Methyl 3-Amino-4-chlorobenzoate is 185.02 g/mol.
Where can I buy Methyl 3-Amino-4-chlorobenzoate?
You can request a quote for Methyl 3-Amino-4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-Amino-4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-Amino-4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.