4P-644S
TL;DR: 4P-644S (CAS 478045-67-9) is a chemical compound with molecular formula C25H17F3N4O2 and molecular weight 462.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethylphenyl)-4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phthalazin-1-one
Also Known As: 4P-644S, 2-(3,4-dimethylphenyl)-4-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-1,2-dihydrophthalazin-1-one, 2-(3,4-dimethylphenyl)-4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phthalazin-1-one, 2-(3,4-dimethylphenyl)-4-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}phthalazin-1(2H)-one, F3411-7501
| Molecular Formula | C25H17F3N4O2 |
|---|---|
| Molecular Weight | 462.13 g/mol |
| LogP | 5.73834 |
| Topological Polar Surface Area | 73.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 462.13037 |
| Heavy Atoms | 34 |
| Complexity | 1602.3938 |
Chemical Identifiers
| CAS Number | 478045-67-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C4=NC(=NO4)C5=CC(=CC=C5)C(F)(F)F)C |
Product Overview
4P-644S (CAS 478045-67-9), with molecular formula C25H17F3N4O2 and molecular weight 462.13 g/mol. IUPAC: 2-(3,4-dimethylphenyl)-4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phthalazin-1-one.
Chemical Property Profile of 4P-644S
Property Insights of 4P-644S
The XLogP value of 5.73834 indicates that 4P-644S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 4P-644S. Following Lipinski's Rule of Five, 4P-644S has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4P-644S?
The CAS number of 4P-644S is 478045-67-9.
What is the molecular formula of 4P-644S?
The molecular formula of 4P-644S is C25H17F3N4O2.
What is the molecular weight of 4P-644S?
The molecular weight of 4P-644S is 462.13 g/mol.
Where can I buy 4P-644S?
You can request a quote for 4P-644S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4P-644S?
Yes, KEHONG BIO provides custom synthesis services for 4P-644S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.