allyl 4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4H-1,2,4-triazol-3-yl sulfide
TL;DR: allyl 4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4H-1,2,4-triazol-3-yl sulfide (CAS 338760-18-2) is a chemical compound with molecular formula C16H16N4S2 and molecular weight 328.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-5-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-1,3-thiazole
Also Known As: allyl 4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4H-1,2,4-triazol-3-yl sulfide, 4-methyl-5-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-1,3-thiazole, 4-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-(prop-2-en-1-ylsulfanyl)-4H-1,2,4-triazole
| Molecular Formula | C16H16N4S2 |
|---|---|
| Molecular Weight | 328.08 g/mol |
| LogP | 4.19212 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.08163 |
| Heavy Atoms | 22 |
| Complexity | 789.8411 |
Chemical Identifiers
| CAS Number | 338760-18-2 |
|---|---|
| SMILES | CC1=C(SC(=N1)C2=CC=CC=C2)C3=NN=C(N3C)SCC=C |
Product Overview
allyl 4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4H-1,2,4-triazol-3-yl sulfide (CAS 338760-18-2), with molecular formula C16H16N4S2 and molecular weight 328.08 g/mol. IUPAC: 4-methyl-5-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-1,3-thiazole.
Chemical Property Profile of allyl 4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4H-1,2,4-triazol-3-yl sulfide
Property Insights of allyl 4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4H-1,2,4-triazol-3-yl sulfide
The XLogP value of 4.19212 indicates that allyl 4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4H-1,2,4-triazol-3-yl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, allyl 4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4H-1,2,4-triazol-3-yl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, allyl 4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4H-1,2,4-triazol-3-yl sulfide has 0 hydrogen bond donor(s) and 5 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 allyl 4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4H-1,2,4-triazol-3-yl sulfide?
The CAS number of allyl 4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4H-1,2,4-triazol-3-yl sulfide is 338760-18-2.
What is the molecular formula of allyl 4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4H-1,2,4-triazol-3-yl sulfide?
The molecular formula of allyl 4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4H-1,2,4-triazol-3-yl sulfide is C16H16N4S2.
What is the molecular weight of allyl 4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4H-1,2,4-triazol-3-yl sulfide?
The molecular weight of allyl 4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4H-1,2,4-triazol-3-yl sulfide is 328.08 g/mol.
Where can I buy allyl 4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4H-1,2,4-triazol-3-yl sulfide?
You can request a quote for allyl 4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4H-1,2,4-triazol-3-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for allyl 4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4H-1,2,4-triazol-3-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for allyl 4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4H-1,2,4-triazol-3-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.