N-(4-chlorophenyl)-N'-methyl-3-nitrobenzenecarboximidamide
TL;DR: N-(4-chlorophenyl)-N'-methyl-3-nitrobenzenecarboximidamide (CAS 339026-99-2) is a chemical compound with molecular formula C14H12ClN3O2 and molecular weight 289.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-N'-methyl-3-nitrobenzenecarboximidamide
Also Known As: N-(4-chlorophenyl)-N'-methyl-3-nitrobenzenecarboximidamide, 8F-312S, (E)-N-(4-chlorophenyl)-N'-methyl-3-nitrobenzene-1-carboximidamide, N-(4-chlorophenyl)-N'-methyl-3-nitro-benzamidine, N-(4-chlorophenyl)-N'-methyl-3-nitro-benzenecarboximidamide
| Molecular Formula | C14H12ClN3O2 |
|---|---|
| Molecular Weight | 289.06 g/mol |
| LogP | 3.7367 |
| Topological Polar Surface Area | 67.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.0618 |
| Heavy Atoms | 20 |
| Complexity | 653.7235 |
Chemical Identifiers
| CAS Number | 339026-99-2 |
|---|---|
| SMILES | CN=C(C1=CC(=CC=C1)[N+](=O)[O-])NC2=CC=C(C=C2)Cl |
Product Overview
N-(4-chlorophenyl)-N'-methyl-3-nitrobenzenecarboximidamide (CAS 339026-99-2), with molecular formula C14H12ClN3O2 and molecular weight 289.06 g/mol. IUPAC: N-(4-chlorophenyl)-N'-methyl-3-nitrobenzenecarboximidamide.
Chemical Property Profile of N-(4-chlorophenyl)-N'-methyl-3-nitrobenzenecarboximidamide
Property Insights of N-(4-chlorophenyl)-N'-methyl-3-nitrobenzenecarboximidamide
The XLogP value of 3.7367 indicates that N-(4-chlorophenyl)-N'-methyl-3-nitrobenzenecarboximidamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.53 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-chlorophenyl)-N'-methyl-3-nitrobenzenecarboximidamide. Following Lipinski's Rule of Five, N-(4-chlorophenyl)-N'-methyl-3-nitrobenzenecarboximidamide 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 N-(4-chlorophenyl)-N'-methyl-3-nitrobenzenecarboximidamide?
The CAS number of N-(4-chlorophenyl)-N'-methyl-3-nitrobenzenecarboximidamide is 339026-99-2.
What is the molecular formula of N-(4-chlorophenyl)-N'-methyl-3-nitrobenzenecarboximidamide?
The molecular formula of N-(4-chlorophenyl)-N'-methyl-3-nitrobenzenecarboximidamide is C14H12ClN3O2.
What is the molecular weight of N-(4-chlorophenyl)-N'-methyl-3-nitrobenzenecarboximidamide?
The molecular weight of N-(4-chlorophenyl)-N'-methyl-3-nitrobenzenecarboximidamide is 289.06 g/mol.
Where can I buy N-(4-chlorophenyl)-N'-methyl-3-nitrobenzenecarboximidamide?
You can request a quote for N-(4-chlorophenyl)-N'-methyl-3-nitrobenzenecarboximidamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chlorophenyl)-N'-methyl-3-nitrobenzenecarboximidamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorophenyl)-N'-methyl-3-nitrobenzenecarboximidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.