4-Nitrobenzamidine
TL;DR: 4-Nitrobenzamidine (CAS 25412-75-3) 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.
4-nitrobenzenecarboximidamide
Also Known As: 4-Nitrobenzamidine, 4-nitrobenzenecarboximidamide, 4-Nitro-benzamidine, p-Nitrobenzamidine, 4-nitrobenzimidamide
| Molecular Formula | C7H7N3O2 |
|---|---|
| Molecular Weight | 165.05 g/mol |
| LogP | 1.2 |
| 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 | 191.0 |
Chemical Identifiers
| CAS Number | 25412-75-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=N)N)[N+](=O)[O-] |
| InChIKey | RNYJYWQMEZWWPT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrobenzamidine (CAS 25412-75-3), with molecular formula C7H7N3O2 and molecular weight 165.05 g/mol. IUPAC: 4-nitrobenzenecarboximidamide.
Chemical Property Profile of 4-Nitrobenzamidine
Property Insights of 4-Nitrobenzamidine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrobenzamidine. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrobenzamidine. Following Lipinski's Rule of Five, 4-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 4-Nitrobenzamidine?
The CAS number of 4-Nitrobenzamidine is 25412-75-3.
What is the molecular formula of 4-Nitrobenzamidine?
The molecular formula of 4-Nitrobenzamidine is C7H7N3O2.
What is the molecular weight of 4-Nitrobenzamidine?
The molecular weight of 4-Nitrobenzamidine is 165.05 g/mol.
Where can I buy 4-Nitrobenzamidine?
You can request a quote for 4-Nitrobenzamidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrobenzamidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenzamidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.