Methyl 5-Amino-2-chlorobenzoate
TL;DR: Methyl 5-Amino-2-chlorobenzoate (CAS 42122-75-8) 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 5-amino-2-chlorobenzoate
Also Known As: methyl 5-amino-2-chlorobenzoate, Methyl-5-amino-2-chlorobenzoate, Methyl 2-chloro-5-aminobenzoate, Methyl5-Amino-2-chlorobenzoate, 5-amino-2-chlorobenzoic acid methyl ester
| Molecular Formula | C8H8ClNO2 |
|---|---|
| Molecular Weight | 185.02 g/mol |
| LogP | 1.7088 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.02435 |
| Heavy Atoms | 12 |
| Complexity | 311.9262 |
Chemical Identifiers
| CAS Number | 42122-75-8 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)N)Cl |
Product Overview
Methyl 5-Amino-2-chlorobenzoate (CAS 42122-75-8), with molecular formula C8H8ClNO2 and molecular weight 185.02 g/mol. IUPAC: methyl 5-amino-2-chlorobenzoate.
Chemical Property Profile of Methyl 5-Amino-2-chlorobenzoate
Property Insights of Methyl 5-Amino-2-chlorobenzoate
The XLogP value of 1.7088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-Amino-2-chlorobenzoate. With a topological polar surface area (TPSA) of 52.32 Ų, Methyl 5-Amino-2-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-Amino-2-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 5-Amino-2-chlorobenzoate?
The CAS number of Methyl 5-Amino-2-chlorobenzoate is 42122-75-8.
What is the molecular formula of Methyl 5-Amino-2-chlorobenzoate?
The molecular formula of Methyl 5-Amino-2-chlorobenzoate is C8H8ClNO2.
What is the molecular weight of Methyl 5-Amino-2-chlorobenzoate?
The molecular weight of Methyl 5-Amino-2-chlorobenzoate is 185.02 g/mol.
Where can I buy Methyl 5-Amino-2-chlorobenzoate?
You can request a quote for Methyl 5-Amino-2-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-Amino-2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-Amino-2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.