7P-646S
TL;DR: 7P-646S (CAS 478077-63-3) is a chemical compound with molecular formula C22H17ClF3N5OS and molecular weight 491.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-[4-ethyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridazin-4-one
Also Known As: 7P-646S, 1-(4-chlorophenyl)-3-(4-ethyl-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-4(1H)-pyridazinone, 1-(4-chlorophenyl)-3-[4-ethyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridazin-4-one, 1-(4-chlorophenyl)-3-[4-ethyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-1,4-dihydropyridazin-4-one, 1-(4-CHLOROPHENYL)-3-(4-ETHYL-5-([3-(TRIFLUOROMETHYL)BENZYL]SULFANYL)-4H-1,2,4-TRIAZOL-3-YL)-4(1H)-PYRIDAZINONE
| Molecular Formula | C22H17ClF3N5OS |
|---|---|
| Molecular Weight | 491.08 g/mol |
| LogP | 5.4754 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 491.07944 |
| Heavy Atoms | 33 |
| Complexity | 1335.1085 |
Chemical Identifiers
| CAS Number | 478077-63-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC(=CC=C2)C(F)(F)F)C3=NN(C=CC3=O)C4=CC=C(C=C4)Cl |
Product Overview
7P-646S (CAS 478077-63-3), with molecular formula C22H17ClF3N5OS and molecular weight 491.08 g/mol. IUPAC: 1-(4-chlorophenyl)-3-[4-ethyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridazin-4-one.
Chemical Property Profile of 7P-646S
Property Insights of 7P-646S
The XLogP value of 5.4754 indicates that 7P-646S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 7P-646S. Following Lipinski's Rule of Five, 7P-646S 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 7P-646S?
The CAS number of 7P-646S is 478077-63-3.
What is the molecular formula of 7P-646S?
The molecular formula of 7P-646S is C22H17ClF3N5OS.
What is the molecular weight of 7P-646S?
The molecular weight of 7P-646S is 491.08 g/mol.
Where can I buy 7P-646S?
You can request a quote for 7P-646S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7P-646S?
Yes, KEHONG BIO provides custom synthesis services for 7P-646S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.