4-Nitrobenzamide
TL;DR: 4-Nitrobenzamide (CAS 619-80-7) is a chemical compound with molecular formula C7H6N2O3 and molecular weight 166.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitrobenzamide
Also Known As: 4-NITROBENZAMIDE, p-Nitrobenzamide, Benzamide, 4-nitro-, 4-nitro-benzamide, Benzamide, p-nitro-
| Molecular Formula | C7H6N2O3 |
|---|---|
| Molecular Weight | 166.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.03784 |
| Heavy Atoms | 12 |
| Complexity | 191.0 |
| Melting Point | 394 to 203.9 °C |
| Solubility | less than 0.1 mg/mL at 64 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 619-80-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)N)[N+](=O)[O-] |
| InChIKey | ZESWUEBPRPGMTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrobenzamide (CAS 619-80-7), with molecular formula C7H6N2O3 and molecular weight 166.04 g/mol. IUPAC: 4-nitrobenzamide.
Chemical Property Profile of 4-Nitrobenzamide
Property Insights of 4-Nitrobenzamide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrobenzamide. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrobenzamide. Following Lipinski's Rule of Five, 4-Nitrobenzamide 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-Nitrobenzamide?
The CAS number of 4-Nitrobenzamide is 619-80-7.
What is the molecular formula of 4-Nitrobenzamide?
The molecular formula of 4-Nitrobenzamide is C7H6N2O3.
What is the molecular weight of 4-Nitrobenzamide?
The molecular weight of 4-Nitrobenzamide is 166.04 g/mol.
Where can I buy 4-Nitrobenzamide?
You can request a quote for 4-Nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.