RefChem:1079179
TL;DR: RefChem:1079179 (CAS 75412-53-2) is a chemical compound with molecular formula C21H17Cl2N3O and molecular weight 397.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-2-(3-methylanilino)benzamide
Also Known As: 4-Chloro-2-((3-methylphenyl)amino)benzoic acid ((2-chlorophenyl)methylene)hydrazide, Benzoic acid, 4-chloro-2-((3-methylphenyl)amino)-, ((2-chlorophenyl)methylene)hydrazide, RefChem:1079179, BRN 4566552
| Molecular Formula | C21H17Cl2N3O |
|---|---|
| Molecular Weight | 397.07 g/mol |
| LogP | 5.80932 |
| Topological Polar Surface Area | 53.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.07486 |
| Heavy Atoms | 27 |
| Complexity | 1002.2218 |
Chemical Identifiers
| CAS Number | 75412-53-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC2=C(C=CC(=C2)Cl)C(=O)N/N=C/C3=CC=CC=C3Cl |
Product Overview
RefChem:1079179 (CAS 75412-53-2), with molecular formula C21H17Cl2N3O and molecular weight 397.07 g/mol. IUPAC: 4-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-2-(3-methylanilino)benzamide.
Chemical Property Profile of RefChem:1079179
Property Insights of RefChem:1079179
The XLogP value of 5.80932 indicates that RefChem:1079179 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.49 Ų, RefChem:1079179 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1079179 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1079179?
The CAS number of RefChem:1079179 is 75412-53-2.
What is the molecular formula of RefChem:1079179?
The molecular formula of RefChem:1079179 is C21H17Cl2N3O.
What is the molecular weight of RefChem:1079179?
The molecular weight of RefChem:1079179 is 397.07 g/mol.
Where can I buy RefChem:1079179?
You can request a quote for RefChem:1079179 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079179?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079179 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.