1E-065
TL;DR: 1E-065 (CAS 320417-83-2) is a chemical compound with molecular formula C22H13ClF3N3O2 and molecular weight 443.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-4-oxo-N-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxamide
Also Known As: 1E-065, 3-(4-chlorophenyl)-4-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydrophthalazine-1-carboxamide, 3-(4-chlorophenyl)-4-oxo-N-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxamide, 3-(4-chlorophenyl)-4-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1-phthalazinecarboxamide
| Molecular Formula | C22H13ClF3N3O2 |
|---|---|
| Molecular Weight | 443.06 g/mol |
| LogP | 5.3102 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 443.06485 |
| Heavy Atoms | 31 |
| Complexity | 1348.959 |
Chemical Identifiers
| CAS Number | 320417-83-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NN(C2=O)C3=CC=C(C=C3)Cl)C(=O)NC4=CC=CC(=C4)C(F)(F)F |
Product Overview
1E-065 (CAS 320417-83-2), with molecular formula C22H13ClF3N3O2 and molecular weight 443.06 g/mol. IUPAC: 3-(4-chlorophenyl)-4-oxo-N-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxamide.
Chemical Property Profile of 1E-065
Property Insights of 1E-065
The XLogP value of 5.3102 indicates that 1E-065 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-065. Following Lipinski's Rule of Five, 1E-065 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-065?
The CAS number of 1E-065 is 320417-83-2.
What is the molecular formula of 1E-065?
The molecular formula of 1E-065 is C22H13ClF3N3O2.
What is the molecular weight of 1E-065?
The molecular weight of 1E-065 is 443.06 g/mol.
Where can I buy 1E-065?
You can request a quote for 1E-065 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1E-065?
Yes, KEHONG BIO provides custom synthesis services for 1E-065 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.