N-4-Nitrophenylguanidine
TL;DR: N-4-Nitrophenylguanidine (CAS 5901-56-4) 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.
2-(4-nitrophenyl)guanidine
Also Known As: N-4-Nitrophenylguanidine, 1-(4-nitrophenyl)guanidine, 2-(4-nitrophenyl)guanidine, p-nitrophenylguanidine, 4-nitrophenylguanidine
| Molecular Formula | C7H8N4O2 |
|---|---|
| Molecular Weight | 180.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.06473 |
| Heavy Atoms | 13 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 5901-56-4 |
|---|---|
| SMILES | C1=CC(=CC=C1N=C(N)N)[N+](=O)[O-] |
| InChIKey | TYWHSGIYNMFJBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-4-Nitrophenylguanidine (CAS 5901-56-4), with molecular formula C7H8N4O2 and molecular weight 180.06 g/mol. IUPAC: 2-(4-nitrophenyl)guanidine.
Chemical Property Profile of N-4-Nitrophenylguanidine
Property Insights of N-4-Nitrophenylguanidine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-4-Nitrophenylguanidine. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-4-Nitrophenylguanidine. Following Lipinski's Rule of Five, N-4-Nitrophenylguanidine 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 N-4-Nitrophenylguanidine?
The CAS number of N-4-Nitrophenylguanidine is 5901-56-4.
What is the molecular formula of N-4-Nitrophenylguanidine?
The molecular formula of N-4-Nitrophenylguanidine is C7H8N4O2.
What is the molecular weight of N-4-Nitrophenylguanidine?
The molecular weight of N-4-Nitrophenylguanidine is 180.06 g/mol.
Where can I buy N-4-Nitrophenylguanidine?
You can request a quote for N-4-Nitrophenylguanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-4-Nitrophenylguanidine?
Yes, KEHONG BIO provides custom synthesis services for N-4-Nitrophenylguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.