1E-066
TL;DR: 1E-066 (CAS 320417-84-3) is a chemical compound with molecular formula C21H12Cl3N3O2 and molecular weight 443.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-4-oxophthalazine-1-carboxamide
Also Known As: 1E-066, 3-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-4-oxo-3,4-dihydro-1-phthalazinecarboxamide, 3-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-4-oxophthalazine-1-carboxamide, 3-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-4-oxo-phthalazine-1-carboxamide, 3-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
| Molecular Formula | C21H12Cl3N3O2 |
|---|---|
| Molecular Weight | 443.00 g/mol |
| LogP | 5.5982 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.9995 |
| Heavy Atoms | 29 |
| Complexity | 1301.0569 |
Chemical Identifiers
| CAS Number | 320417-84-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NN(C2=O)C3=CC=C(C=C3)Cl)C(=O)NC4=C(C=C(C=C4)Cl)Cl |
Product Overview
1E-066 (CAS 320417-84-3), with molecular formula C21H12Cl3N3O2 and molecular weight 443.00 g/mol. IUPAC: 3-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-4-oxophthalazine-1-carboxamide.
Chemical Property Profile of 1E-066
Property Insights of 1E-066
The XLogP value of 5.5982 indicates that 1E-066 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 1E-066. Following Lipinski's Rule of Five, 1E-066 has 1 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 1E-066?
The CAS number of 1E-066 is 320417-84-3.
What is the molecular formula of 1E-066?
The molecular formula of 1E-066 is C21H12Cl3N3O2.
What is the molecular weight of 1E-066?
The molecular weight of 1E-066 is 443.00 g/mol.
Where can I buy 1E-066?
You can request a quote for 1E-066 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1E-066?
Yes, KEHONG BIO provides custom synthesis services for 1E-066 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.