Benzoic acid, 4-(acetylamino)-, 4-nitrophenyl ester
TL;DR: Benzoic acid, 4-(acetylamino)-, 4-nitrophenyl ester (CAS 87382-61-4) is a chemical compound with molecular formula C15H12N2O5 and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 4-acetamidobenzoate
Also Known As: (4-nitrophenyl) 4-acetamidobenzoate, 4-NITROPHENYL 4-ACETAMIDOBENZOATE, Benzoic acid, 4-(acetylamino)-, 4-nitrophenyl ester
| Molecular Formula | C15H12N2O5 |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 2.7724 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.07462 |
| Heavy Atoms | 22 |
| Complexity | 707.7176 |
Chemical Identifiers
| CAS Number | 87382-61-4 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
Benzoic acid, 4-(acetylamino)-, 4-nitrophenyl ester (CAS 87382-61-4), with molecular formula C15H12N2O5 and molecular weight 300.07 g/mol. IUPAC: (4-nitrophenyl) 4-acetamidobenzoate.
Chemical Property Profile of Benzoic acid, 4-(acetylamino)-, 4-nitrophenyl ester
Property Insights of Benzoic acid, 4-(acetylamino)-, 4-nitrophenyl ester
The XLogP value of 2.7724 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-(acetylamino)-, 4-nitrophenyl ester. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(acetylamino)-, 4-nitrophenyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-(acetylamino)-, 4-nitrophenyl ester has 1 hydrogen bond donor(s) and 5 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-(acetylamino)-, 4-nitrophenyl ester?
The CAS number of Benzoic acid, 4-(acetylamino)-, 4-nitrophenyl ester is 87382-61-4.
What is the molecular formula of Benzoic acid, 4-(acetylamino)-, 4-nitrophenyl ester?
The molecular formula of Benzoic acid, 4-(acetylamino)-, 4-nitrophenyl ester is C15H12N2O5.
What is the molecular weight of Benzoic acid, 4-(acetylamino)-, 4-nitrophenyl ester?
The molecular weight of Benzoic acid, 4-(acetylamino)-, 4-nitrophenyl ester is 300.07 g/mol.
Where can I buy Benzoic acid, 4-(acetylamino)-, 4-nitrophenyl ester?
You can request a quote for Benzoic acid, 4-(acetylamino)-, 4-nitrophenyl 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-(acetylamino)-, 4-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(acetylamino)-, 4-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.