C18H12Cl4N4O
TL;DR: C18H12Cl4N4O (CAS 1285530-84-8) is a chemical compound with molecular formula C18H12Cl4N4O and molecular weight 439.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dichlorophenyl)-N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
Also Known As: 5-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)ethylideneamino]-2H-pyrazole-3-carboxamide, (E)-3-(3,4-dichlorophenyl)-N'-(1-(3,4-dichlorophenyl)ethylidene)-1H-pyrazole-5-carbohydrazide, 5-(3,4-dichlorophenyl)-N'-[(1E)-1-(3,4-dichlorophenyl)ethylidene]-1H-pyrazole-3-carbohydrazide, N-[(1E)-2-(3,4-dichlorophenyl)-1-azaprop-1-enyl][3-(3,4-dichlorophenyl)pyrazol -5-yl]carboxamide
| Molecular Formula | C18H12Cl4N4O |
|---|---|
| Molecular Weight | 439.98 g/mol |
| LogP | 5.8443 |
| Topological Polar Surface Area | 70.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.97653 |
| Heavy Atoms | 27 |
| Complexity | 1045.591 |
Chemical Identifiers
| CAS Number | 1285530-84-8 |
|---|---|
| SMILES | C/C(=N\NC(=O)C1=CC(=NN1)C2=CC(=C(C=C2)Cl)Cl)/C3=CC(=C(C=C3)Cl)Cl |
Product Overview
C18H12Cl4N4O (CAS 1285530-84-8), with molecular formula C18H12Cl4N4O and molecular weight 439.98 g/mol. IUPAC: 3-(3,4-dichlorophenyl)-N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide.
Chemical Property Profile of C18H12Cl4N4O
Property Insights of C18H12Cl4N4O
The XLogP value of 5.8443 indicates that C18H12Cl4N4O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.14 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H12Cl4N4O. Following Lipinski's Rule of Five, C18H12Cl4N4O 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 C18H12Cl4N4O?
The CAS number of C18H12Cl4N4O is 1285530-84-8.
What is the molecular formula of C18H12Cl4N4O?
The molecular formula of C18H12Cl4N4O is C18H12Cl4N4O.
What is the molecular weight of C18H12Cl4N4O?
The molecular weight of C18H12Cl4N4O is 439.98 g/mol.
Where can I buy C18H12Cl4N4O?
You can request a quote for C18H12Cl4N4O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H12Cl4N4O?
Yes, KEHONG BIO provides custom synthesis services for C18H12Cl4N4O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.