4-Nitrobenzanilide
TL;DR: 4-Nitrobenzanilide (CAS 3460-11-5) is a chemical compound with molecular formula C13H10N2O3 and molecular weight 242.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N-phenylbenzamide
Also Known As: 4-Nitrobenzanilide, 4-nitro-N-phenylbenzamide, p-Nitrobenzanilide, 4-nitro-benzanilide, Benzamide, 4-nitro-N-phenyl-
| Molecular Formula | C13H10N2O3 |
|---|---|
| Molecular Weight | 242.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.06914 |
| Heavy Atoms | 18 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 3460-11-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | KCBREZOWOLOPLW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrobenzanilide (CAS 3460-11-5), with molecular formula C13H10N2O3 and molecular weight 242.07 g/mol. IUPAC: 4-nitro-N-phenylbenzamide.
Chemical Property Profile of 4-Nitrobenzanilide
Property Insights of 4-Nitrobenzanilide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrobenzanilide. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrobenzanilide. Following Lipinski's Rule of Five, 4-Nitrobenzanilide 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-Nitrobenzanilide?
The CAS number of 4-Nitrobenzanilide is 3460-11-5.
What is the molecular formula of 4-Nitrobenzanilide?
The molecular formula of 4-Nitrobenzanilide is C13H10N2O3.
What is the molecular weight of 4-Nitrobenzanilide?
The molecular weight of 4-Nitrobenzanilide is 242.07 g/mol.
Where can I buy 4-Nitrobenzanilide?
You can request a quote for 4-Nitrobenzanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrobenzanilide?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenzanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.