4-(Acetylamino)phenyl 4-nitrobenzoate
TL;DR: 4-(Acetylamino)phenyl 4-nitrobenzoate (CAS 13245-56-2) 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-acetamidophenyl) 4-nitrobenzoate
Also Known As: 4-(acetylamino)phenyl 4-nitrobenzoate, (4-acetamidophenyl) 4-nitrobenzoate, 4-ACETAMIDOPHENYL 4-NITROBENZOATE, BIM-0018061.P001
| 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 | 13245-56-2 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4-(Acetylamino)phenyl 4-nitrobenzoate (CAS 13245-56-2), with molecular formula C15H12N2O5 and molecular weight 300.07 g/mol. IUPAC: (4-acetamidophenyl) 4-nitrobenzoate.
Chemical Property Profile of 4-(Acetylamino)phenyl 4-nitrobenzoate
Property Insights of 4-(Acetylamino)phenyl 4-nitrobenzoate
The XLogP value of 2.7724 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Acetylamino)phenyl 4-nitrobenzoate. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Acetylamino)phenyl 4-nitrobenzoate. Following Lipinski's Rule of Five, 4-(Acetylamino)phenyl 4-nitrobenzoate 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 4-(Acetylamino)phenyl 4-nitrobenzoate?
The CAS number of 4-(Acetylamino)phenyl 4-nitrobenzoate is 13245-56-2.
What is the molecular formula of 4-(Acetylamino)phenyl 4-nitrobenzoate?
The molecular formula of 4-(Acetylamino)phenyl 4-nitrobenzoate is C15H12N2O5.
What is the molecular weight of 4-(Acetylamino)phenyl 4-nitrobenzoate?
The molecular weight of 4-(Acetylamino)phenyl 4-nitrobenzoate is 300.07 g/mol.
Where can I buy 4-(Acetylamino)phenyl 4-nitrobenzoate?
You can request a quote for 4-(Acetylamino)phenyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Acetylamino)phenyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Acetylamino)phenyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.