RefChem:1079185
TL;DR: RefChem:1079185 (CAS 70057-10-2) is a chemical compound with molecular formula C21H17ClN4O3 and molecular weight 408.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-(4-methylanilino)-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
Also Known As: 4-Chloro-2-((4-methylphenyl)amino)benzoic acid ((2-nitrophenyl)methylene)hydrazide, Benzoic acid, 4-chloro-2-((4-methylphenyl)amino)-, ((2-nitrophenyl)methylene)hydrazide, RefChem:1079185, BRN 2402498
| Molecular Formula | C21H17ClN4O3 |
|---|---|
| Molecular Weight | 408.10 g/mol |
| LogP | 5.06412 |
| Topological Polar Surface Area | 96.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.0989 |
| Heavy Atoms | 29 |
| Complexity | 1081.5393 |
Chemical Identifiers
| CAS Number | 70057-10-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=C(C=CC(=C2)Cl)C(=O)N/N=C/C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
RefChem:1079185 (CAS 70057-10-2), with molecular formula C21H17ClN4O3 and molecular weight 408.10 g/mol. IUPAC: 4-chloro-2-(4-methylanilino)-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide.
Chemical Property Profile of RefChem:1079185
Property Insights of RefChem:1079185
The XLogP value of 5.06412 indicates that RefChem:1079185 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.63 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1079185. Following Lipinski's Rule of Five, RefChem:1079185 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1079185?
The CAS number of RefChem:1079185 is 70057-10-2.
What is the molecular formula of RefChem:1079185?
The molecular formula of RefChem:1079185 is C21H17ClN4O3.
What is the molecular weight of RefChem:1079185?
The molecular weight of RefChem:1079185 is 408.10 g/mol.
Where can I buy RefChem:1079185?
You can request a quote for RefChem:1079185 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079185?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079185 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.