4-Phenylacetylamino-benzoic acid methyl ester
TL;DR: 4-Phenylacetylamino-benzoic acid methyl ester (CAS 97729-26-5) is a chemical compound with molecular formula C16H15NO3 and molecular weight 269.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2-phenylacetyl)amino]benzoate
Also Known As: methyl 4-(2-phenylacetamido)benzoate, methyl 4-[(phenylacetyl)amino]benzoate, methyl 4-[(2-phenylacetyl)amino]benzoate, 1-Undecene, 1-ethoxy-, (E)-, methyl 4-(2-phenylacetylamino)benzoate
| Molecular Formula | C16H15NO3 |
|---|---|
| Molecular Weight | 269.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.1052 |
| Heavy Atoms | 20 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 97729-26-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=CC=C2 |
| InChIKey | XDBYHWVNGBJPSG-UHFFFAOYSA-N |
Product Overview
4-Phenylacetylamino-benzoic acid methyl ester (CAS 97729-26-5), with molecular formula C16H15NO3 and molecular weight 269.11 g/mol. IUPAC: methyl 4-[(2-phenylacetyl)amino]benzoate.
Chemical Property Profile of 4-Phenylacetylamino-benzoic acid methyl ester
Property Insights of 4-Phenylacetylamino-benzoic acid methyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenylacetylamino-benzoic acid methyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, 4-Phenylacetylamino-benzoic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenylacetylamino-benzoic acid methyl ester 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-Phenylacetylamino-benzoic acid methyl ester?
The CAS number of 4-Phenylacetylamino-benzoic acid methyl ester is 97729-26-5.
What is the molecular formula of 4-Phenylacetylamino-benzoic acid methyl ester?
The molecular formula of 4-Phenylacetylamino-benzoic acid methyl ester is C16H15NO3.
What is the molecular weight of 4-Phenylacetylamino-benzoic acid methyl ester?
The molecular weight of 4-Phenylacetylamino-benzoic acid methyl ester is 269.11 g/mol.
Where can I buy 4-Phenylacetylamino-benzoic acid methyl ester?
You can request a quote for 4-Phenylacetylamino-benzoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenylacetylamino-benzoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenylacetylamino-benzoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.