Methyl 4-chloroanthranilate
TL;DR: Methyl 4-chloroanthranilate (CAS 5900-58-3) 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 2-amino-4-chlorobenzoate
Also Known As: Methyl 2-amino-4-chlorobenzoate, Methyl 4-chloroanthranilate, 2-Amino-4-chlorobenzoic acid, 3ms9, Methyl2-amino-4-chlorobenzoate
| Molecular Formula | C8H8ClNO2 |
|---|---|
| Molecular Weight | 185.02 g/mol |
| LogP | 3.3 |
| 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 | 5900-58-3 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(C=C1)Cl)N |
| InChIKey | YPSSCICDVDOEAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-chloroanthranilate (CAS 5900-58-3), with molecular formula C8H8ClNO2 and molecular weight 185.02 g/mol. IUPAC: methyl 2-amino-4-chlorobenzoate.
Chemical Property Profile of Methyl 4-chloroanthranilate
Property Insights of Methyl 4-chloroanthranilate
The XLogP value of 3.3 indicates that Methyl 4-chloroanthranilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, Methyl 4-chloroanthranilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-chloroanthranilate 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 4-chloroanthranilate?
The CAS number of Methyl 4-chloroanthranilate is 5900-58-3.
What is the molecular formula of Methyl 4-chloroanthranilate?
The molecular formula of Methyl 4-chloroanthranilate is C8H8ClNO2.
What is the molecular weight of Methyl 4-chloroanthranilate?
The molecular weight of Methyl 4-chloroanthranilate is 185.02 g/mol.
Where can I buy Methyl 4-chloroanthranilate?
You can request a quote for Methyl 4-chloroanthranilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-chloroanthranilate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-chloroanthranilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.