A3918/0166696
TL;DR: A3918/0166696 (CAS 879433-06-4) is a chemical compound with molecular formula C18H12F3N5OS and molecular weight 403.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
Also Known As: A3918/0166696, 2-((5-mercapto-4-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)methyl)phthalazin-1(2H)-one, 2-({5-SULFANYL-4-[2-(TRIFLUOROMETHYL)PHENYL]-4H-1,2,4-TRIAZOL-3-YL}METHYL)-1(2H)-PHTHALAZINONE, 2-({5-thioxo-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)phthalazin-1(2H)-one, 2-[[5-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
| Molecular Formula | C18H12F3N5OS |
|---|---|
| Molecular Weight | 403.07 g/mol |
| LogP | 3.70689 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.07147 |
| Heavy Atoms | 28 |
| Complexity | 1288.6062 |
Chemical Identifiers
| CAS Number | 879433-06-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=NN(C2=O)CC3=NNC(=S)N3C4=CC=CC=C4C(F)(F)F |
Product Overview
A3918/0166696 (CAS 879433-06-4), with molecular formula C18H12F3N5OS and molecular weight 403.07 g/mol. IUPAC: 2-[[5-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one.
Chemical Property Profile of A3918/0166696
Property Insights of A3918/0166696
The XLogP value of 3.70689 indicates that A3918/0166696 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for A3918/0166696. Following Lipinski's Rule of Five, A3918/0166696 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3918/0166696?
The CAS number of A3918/0166696 is 879433-06-4.
What is the molecular formula of A3918/0166696?
The molecular formula of A3918/0166696 is C18H12F3N5OS.
What is the molecular weight of A3918/0166696?
The molecular weight of A3918/0166696 is 403.07 g/mol.
Where can I buy A3918/0166696?
You can request a quote for A3918/0166696 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3918/0166696?
Yes, KEHONG BIO provides custom synthesis services for A3918/0166696 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.