1-Nitro-2-phenylguanidine
TL;DR: 1-Nitro-2-phenylguanidine (CAS 5461-83-6) is a chemical compound with molecular formula C7H8N4O2 and molecular weight 180.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-2-phenylguanidine
Also Known As: 1-nitro-2-phenylguanidine, 1-nitro-3-phenylguanidine, 1-nitro-2-phenyl-guanidine, 1-phenyl-3-nitroguanidine, 1-nitro-3-phenyl-guanidine
| Molecular Formula | C7H8N4O2 |
|---|---|
| Molecular Weight | 180.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.06473 |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 5461-83-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=C(N)N[N+](=O)[O-] |
| InChIKey | HUDUGAFSLWBJOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Nitro-2-phenylguanidine (CAS 5461-83-6), with molecular formula C7H8N4O2 and molecular weight 180.06 g/mol. IUPAC: 1-nitro-2-phenylguanidine.
Chemical Property Profile of 1-Nitro-2-phenylguanidine
Property Insights of 1-Nitro-2-phenylguanidine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitro-2-phenylguanidine. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitro-2-phenylguanidine. Following Lipinski's Rule of Five, 1-Nitro-2-phenylguanidine 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 1-Nitro-2-phenylguanidine?
The CAS number of 1-Nitro-2-phenylguanidine is 5461-83-6.
What is the molecular formula of 1-Nitro-2-phenylguanidine?
The molecular formula of 1-Nitro-2-phenylguanidine is C7H8N4O2.
What is the molecular weight of 1-Nitro-2-phenylguanidine?
The molecular weight of 1-Nitro-2-phenylguanidine is 180.06 g/mol.
Where can I buy 1-Nitro-2-phenylguanidine?
You can request a quote for 1-Nitro-2-phenylguanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-2-phenylguanidine?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-2-phenylguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.