Benzoic acid, 4-(benzoylamino)-, 4-methylphenyl ester
TL;DR: Benzoic acid, 4-(benzoylamino)-, 4-methylphenyl ester (CAS 78079-55-7) is a chemical compound with molecular formula C21H17NO3 and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl) 4-benzamidobenzoate
Also Known As: 4-methylphenyl 4-benzamidobenzoate, (4-methylphenyl) 4-benzamidobenzoate, BAS 00084948, 4-Benzoylamino-benzoic acid p-tolyl ester, 4-methylphenyl 4-(benzoylamino)benzoate
| Molecular Formula | C21H17NO3 |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 4.46652 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.12085 |
| Heavy Atoms | 25 |
| Complexity | 869.2794 |
Chemical Identifiers
| CAS Number | 78079-55-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 |
Product Overview
Benzoic acid, 4-(benzoylamino)-, 4-methylphenyl ester (CAS 78079-55-7), with molecular formula C21H17NO3 and molecular weight 331.12 g/mol. IUPAC: (4-methylphenyl) 4-benzamidobenzoate.
Chemical Property Profile of Benzoic acid, 4-(benzoylamino)-, 4-methylphenyl ester
Property Insights of Benzoic acid, 4-(benzoylamino)-, 4-methylphenyl ester
The XLogP value of 4.46652 indicates that Benzoic acid, 4-(benzoylamino)-, 4-methylphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Benzoic acid, 4-(benzoylamino)-, 4-methylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(benzoylamino)-, 4-methylphenyl 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 Benzoic acid, 4-(benzoylamino)-, 4-methylphenyl ester?
The CAS number of Benzoic acid, 4-(benzoylamino)-, 4-methylphenyl ester is 78079-55-7.
What is the molecular formula of Benzoic acid, 4-(benzoylamino)-, 4-methylphenyl ester?
The molecular formula of Benzoic acid, 4-(benzoylamino)-, 4-methylphenyl ester is C21H17NO3.
What is the molecular weight of Benzoic acid, 4-(benzoylamino)-, 4-methylphenyl ester?
The molecular weight of Benzoic acid, 4-(benzoylamino)-, 4-methylphenyl ester is 331.12 g/mol.
Where can I buy Benzoic acid, 4-(benzoylamino)-, 4-methylphenyl ester?
You can request a quote for Benzoic acid, 4-(benzoylamino)-, 4-methylphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(benzoylamino)-, 4-methylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(benzoylamino)-, 4-methylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.