Benzenecarboximidamide, N-(4-nitrophenyl)-
TL;DR: Benzenecarboximidamide, N-(4-nitrophenyl)- (CAS 1986-61-4) is a chemical compound with molecular formula C13H11N3O2 and molecular weight 241.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(4-nitrophenyl)benzenecarboximidamide
Also Known As: N-4-nitrophenylbenzamidine, N-(4-Nitrophenyl)benzenecarboximidamide, N'-(4-nitrophenyl)benzenecarboximidamide, Benzenecarboximidamide, N-(4-nitrophenyl)-, N -(4-Nitrophenyl)benzamidine
| Molecular Formula | C13H11N3O2 |
|---|---|
| Molecular Weight | 241.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.08513 |
| Heavy Atoms | 18 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 1986-61-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=NC2=CC=C(C=C2)[N+](=O)[O-])N |
| InChIKey | KKHKAKFFKIQWLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenecarboximidamide, N-(4-nitrophenyl)- (CAS 1986-61-4), with molecular formula C13H11N3O2 and molecular weight 241.09 g/mol. IUPAC: N'-(4-nitrophenyl)benzenecarboximidamide.
Chemical Property Profile of Benzenecarboximidamide, N-(4-nitrophenyl)-
Property Insights of Benzenecarboximidamide, N-(4-nitrophenyl)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenecarboximidamide, N-(4-nitrophenyl)-. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenecarboximidamide, N-(4-nitrophenyl)-. Following Lipinski's Rule of Five, Benzenecarboximidamide, N-(4-nitrophenyl)- 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 Benzenecarboximidamide, N-(4-nitrophenyl)-?
The CAS number of Benzenecarboximidamide, N-(4-nitrophenyl)- is 1986-61-4.
What is the molecular formula of Benzenecarboximidamide, N-(4-nitrophenyl)-?
The molecular formula of Benzenecarboximidamide, N-(4-nitrophenyl)- is C13H11N3O2.
What is the molecular weight of Benzenecarboximidamide, N-(4-nitrophenyl)-?
The molecular weight of Benzenecarboximidamide, N-(4-nitrophenyl)- is 241.09 g/mol.
Where can I buy Benzenecarboximidamide, N-(4-nitrophenyl)-?
You can request a quote for Benzenecarboximidamide, N-(4-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarboximidamide, N-(4-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarboximidamide, N-(4-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.