4-(3,4-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl 2-phenylethyl sulfide
TL;DR: 4-(3,4-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl 2-phenylethyl sulfide (CAS 663213-52-3) is a chemical compound with molecular formula C24H23N3S and molecular weight 385.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dimethylphenyl)-3-phenyl-5-(2-phenylethylsulfanyl)-1,2,4-triazole
Also Known As: UPCMLD0ENAT5219237:001, AH-487/41730192, 4-(3,4-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl 2-phenylethyl sulfide, 4-(3,4-dimethylphenyl)-3-phenyl-5-[(2-phenylethyl)sulfanyl]-4H-1,2,4-triazole, 4-(3,4-dimethylphenyl)-3-phenethylsulfanyl-5-phenyl-1,2,4-triazole
| Molecular Formula | C24H23N3S |
|---|---|
| Molecular Weight | 385.16 g/mol |
| LogP | 5.88594 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.16125 |
| Heavy Atoms | 28 |
| Complexity | 1055.9226 |
Chemical Identifiers
| CAS Number | 663213-52-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=NN=C2SCCC3=CC=CC=C3)C4=CC=CC=C4)C |
Product Overview
4-(3,4-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl 2-phenylethyl sulfide (CAS 663213-52-3), with molecular formula C24H23N3S and molecular weight 385.16 g/mol. IUPAC: 4-(3,4-dimethylphenyl)-3-phenyl-5-(2-phenylethylsulfanyl)-1,2,4-triazole.
Chemical Property Profile of 4-(3,4-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl 2-phenylethyl sulfide
Property Insights of 4-(3,4-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl 2-phenylethyl sulfide
The XLogP value of 5.88594 indicates that 4-(3,4-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl 2-phenylethyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 4-(3,4-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl 2-phenylethyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,4-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl 2-phenylethyl sulfide has 0 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 4-(3,4-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl 2-phenylethyl sulfide?
The CAS number of 4-(3,4-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl 2-phenylethyl sulfide is 663213-52-3.
What is the molecular formula of 4-(3,4-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl 2-phenylethyl sulfide?
The molecular formula of 4-(3,4-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl 2-phenylethyl sulfide is C24H23N3S.
What is the molecular weight of 4-(3,4-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl 2-phenylethyl sulfide?
The molecular weight of 4-(3,4-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl 2-phenylethyl sulfide is 385.16 g/mol.
Where can I buy 4-(3,4-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl 2-phenylethyl sulfide?
You can request a quote for 4-(3,4-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl 2-phenylethyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl 2-phenylethyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl 2-phenylethyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.