RefChem:1079170
TL;DR: RefChem:1079170 (CAS 75412-61-2) is a chemical compound with molecular formula C21H17Cl2N3O2 and molecular weight 413.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2-methoxyanilino)benzamide
Also Known As: 4-Chloro-2-((2-methoxyphenyl)amino)benzoic acid ((4-chlorophenyl)methylene)hydrazide, Benzoic acid, 4-chloro-2-((2-methoxyphenyl)amino)-, ((4-chlorophenyl)methylene)hydrazide, RefChem:1079170, BRN 4580771
| Molecular Formula | C21H17Cl2N3O2 |
|---|---|
| Molecular Weight | 413.07 g/mol |
| LogP | 5.5095 |
| Topological Polar Surface Area | 62.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.0698 |
| Heavy Atoms | 28 |
| Complexity | 1004.7875 |
Chemical Identifiers
| CAS Number | 75412-61-2 |
|---|---|
| SMILES | COC1=CC=CC=C1NC2=C(C=CC(=C2)Cl)C(=O)N/N=C/C3=CC=C(C=C3)Cl |
Product Overview
RefChem:1079170 (CAS 75412-61-2), with molecular formula C21H17Cl2N3O2 and molecular weight 413.07 g/mol. IUPAC: 4-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2-methoxyanilino)benzamide.
Chemical Property Profile of RefChem:1079170
Property Insights of RefChem:1079170
The XLogP value of 5.5095 indicates that RefChem:1079170 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.72 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1079170. Following Lipinski's Rule of Five, RefChem:1079170 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1079170?
The CAS number of RefChem:1079170 is 75412-61-2.
What is the molecular formula of RefChem:1079170?
The molecular formula of RefChem:1079170 is C21H17Cl2N3O2.
What is the molecular weight of RefChem:1079170?
The molecular weight of RefChem:1079170 is 413.07 g/mol.
Where can I buy RefChem:1079170?
You can request a quote for RefChem:1079170 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079170?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079170 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.