3-硝基苯甲酰胺
TL;DR: 3-硝基苯甲酰胺 (CAS 645-09-0) 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.
3-硝基苯甲酰胺
3-nitrobenzamide
Also Known As: 3-Nitrobenzamide, M-NITROBENZAMIDE, Benzamide, 3-nitro-, Benzamide, m-nitro-, 3-Nitro-benzamide
| 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 | 199.0 |
| Melting Point | 142.7 °C |
| Boiling Point | 590 to 315.0 °C at 760 mmHg |
| Solubility | less than 0.1 mg/mL at 64 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 645-09-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N |
| InChIKey | KWAYEPXDGHYGRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-硝基苯甲酰胺 (CAS 645-09-0), with molecular formula C7H6N2O3 and molecular weight 166.04 g/mol. IUPAC: 3-nitrobenzamide.
Chemical Property Profile of 3-硝基苯甲酰胺
Property Insights of 3-硝基苯甲酰胺
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-硝基苯甲酰胺. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-硝基苯甲酰胺. Following Lipinski's Rule of Five, 3-硝基苯甲酰胺 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 3-硝基苯甲酰胺?
The CAS number of 3-硝基苯甲酰胺 is 645-09-0.
What is the molecular formula of 3-硝基苯甲酰胺?
The molecular formula of 3-硝基苯甲酰胺 is C7H6N2O3.
What is the molecular weight of 3-硝基苯甲酰胺?
The molecular weight of 3-硝基苯甲酰胺 is 166.04 g/mol.
Where can I buy 3-硝基苯甲酰胺?
You can request a quote for 3-硝基苯甲酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-硝基苯甲酰胺?
Yes, KEHONG BIO provides custom synthesis services for 3-硝基苯甲酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.