3-Nitrobenzamidine
TL;DR: 3-Nitrobenzamidine (CAS 39217-08-8) is a chemical compound with molecular formula C7H7N3O2 and molecular weight 165.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitrobenzenecarboximidamide
Also Known As: 3-Nitrobenzimidamide, 3-Nitrobenzamidine, m-Nitrobenzamidine, 3-Nitrobenzenecarboximidamide, 3-nitro-benzamidin
| Molecular Formula | C7H7N3O2 |
|---|---|
| Molecular Weight | 165.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 95.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.05383 |
| Heavy Atoms | 12 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 39217-08-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=N)N |
| InChIKey | BAAYGBNLZPDGJS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitrobenzamidine (CAS 39217-08-8), with molecular formula C7H7N3O2 and molecular weight 165.05 g/mol. IUPAC: 3-nitrobenzenecarboximidamide.
Chemical Property Profile of 3-Nitrobenzamidine
Property Insights of 3-Nitrobenzamidine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitrobenzamidine. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrobenzamidine. Following Lipinski's Rule of Five, 3-Nitrobenzamidine has 2 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-Nitrobenzamidine?
The CAS number of 3-Nitrobenzamidine is 39217-08-8.
What is the molecular formula of 3-Nitrobenzamidine?
The molecular formula of 3-Nitrobenzamidine is C7H7N3O2.
What is the molecular weight of 3-Nitrobenzamidine?
The molecular weight of 3-Nitrobenzamidine is 165.05 g/mol.
Where can I buy 3-Nitrobenzamidine?
You can request a quote for 3-Nitrobenzamidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrobenzamidine?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrobenzamidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.