4-Chloro-3-methylphenyl 2-aminobenzoate
TL;DR: 4-Chloro-3-methylphenyl 2-aminobenzoate (CAS 680185-87-9) is a chemical compound with molecular formula C14H12ClNO2 and molecular weight 261.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-3-methylphenyl) 2-aminobenzoate
Also Known As: (4-chloro-3-methylphenyl) 2-aminobenzoate, 4-CHLORO-3-METHYLPHENYL 2-AMINOBENZOATE, Phenol, 4-chloro-3-methyl-, 1-(2-aminobenzoate)
| Molecular Formula | C14H12ClNO2 |
|---|---|
| Molecular Weight | 261.06 g/mol |
| LogP | 3.44982 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.05566 |
| Heavy Atoms | 18 |
| Complexity | 596.0979 |
Chemical Identifiers
| CAS Number | 680185-87-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC(=O)C2=CC=CC=C2N)Cl |
Product Overview
4-Chloro-3-methylphenyl 2-aminobenzoate (CAS 680185-87-9), with molecular formula C14H12ClNO2 and molecular weight 261.06 g/mol. IUPAC: (4-chloro-3-methylphenyl) 2-aminobenzoate.
Chemical Property Profile of 4-Chloro-3-methylphenyl 2-aminobenzoate
Property Insights of 4-Chloro-3-methylphenyl 2-aminobenzoate
The XLogP value of 3.44982 indicates that 4-Chloro-3-methylphenyl 2-aminobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.32 Ų, 4-Chloro-3-methylphenyl 2-aminobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-3-methylphenyl 2-aminobenzoate 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 4-Chloro-3-methylphenyl 2-aminobenzoate?
The CAS number of 4-Chloro-3-methylphenyl 2-aminobenzoate is 680185-87-9.
What is the molecular formula of 4-Chloro-3-methylphenyl 2-aminobenzoate?
The molecular formula of 4-Chloro-3-methylphenyl 2-aminobenzoate is C14H12ClNO2.
What is the molecular weight of 4-Chloro-3-methylphenyl 2-aminobenzoate?
The molecular weight of 4-Chloro-3-methylphenyl 2-aminobenzoate is 261.06 g/mol.
Where can I buy 4-Chloro-3-methylphenyl 2-aminobenzoate?
You can request a quote for 4-Chloro-3-methylphenyl 2-aminobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3-methylphenyl 2-aminobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-methylphenyl 2-aminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.