Phenyl 3-amino-4-methylbenzoate
TL;DR: Phenyl 3-amino-4-methylbenzoate (CAS 76765-60-1) is a chemical compound with molecular formula C14H13NO2 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 3-amino-4-methylbenzoate
Also Known As: Phenyl 3-amino-4-methylbenzoate, phenyl3-amino-4-methylbenzoate, EINECS 278-546-6, 3-Amino-4-methylbenzoic acid phenyl ester, Benzoic acid,3-amino-4-methyl-, phenyl ester
| Molecular Formula | C14H13NO2 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 2.79642 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.09464 |
| Heavy Atoms | 17 |
| Complexity | 535.1734 |
Chemical Identifiers
| CAS Number | 76765-60-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2)N |
Product Overview
Phenyl 3-amino-4-methylbenzoate (CAS 76765-60-1), with molecular formula C14H13NO2 and molecular weight 227.09 g/mol. IUPAC: phenyl 3-amino-4-methylbenzoate.
Chemical Property Profile of Phenyl 3-amino-4-methylbenzoate
Property Insights of Phenyl 3-amino-4-methylbenzoate
The XLogP value of 2.79642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl 3-amino-4-methylbenzoate. With a topological polar surface area (TPSA) of 52.32 Ų, Phenyl 3-amino-4-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 3-amino-4-methylbenzoate 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 Phenyl 3-amino-4-methylbenzoate?
The CAS number of Phenyl 3-amino-4-methylbenzoate is 76765-60-1.
What is the molecular formula of Phenyl 3-amino-4-methylbenzoate?
The molecular formula of Phenyl 3-amino-4-methylbenzoate is C14H13NO2.
What is the molecular weight of Phenyl 3-amino-4-methylbenzoate?
The molecular weight of Phenyl 3-amino-4-methylbenzoate is 227.09 g/mol.
Where can I buy Phenyl 3-amino-4-methylbenzoate?
You can request a quote for Phenyl 3-amino-4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 3-amino-4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 3-amino-4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.