3-(4-chlorophenyl)-1-(phenylacetyl)-1H-1,2,4-triazol-5-yl methyl sulfide
TL;DR: 3-(4-chlorophenyl)-1-(phenylacetyl)-1H-1,2,4-triazol-5-yl methyl sulfide (CAS 713099-07-1) is a chemical compound with molecular formula C17H14ClN3OS and molecular weight 343.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-2-phenylethanone
Also Known As: 3-(4-chlorophenyl)-1-(phenylacetyl)-1H-1,2,4-triazol-5-yl methyl sulfide, AE-848/42278371, 1-[3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-2-phenylethanone
| Molecular Formula | C17H14ClN3OS |
|---|---|
| Molecular Weight | 343.05 g/mol |
| LogP | 4.2033 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.0546 |
| Heavy Atoms | 23 |
| Complexity | 815.6147 |
Chemical Identifiers
| CAS Number | 713099-07-1 |
|---|---|
| SMILES | CSC1=NC(=NN1C(=O)CC2=CC=CC=C2)C3=CC=C(C=C3)Cl |
Product Overview
3-(4-chlorophenyl)-1-(phenylacetyl)-1H-1,2,4-triazol-5-yl methyl sulfide (CAS 713099-07-1), with molecular formula C17H14ClN3OS and molecular weight 343.05 g/mol. IUPAC: 1-[3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-2-phenylethanone.
Chemical Property Profile of 3-(4-chlorophenyl)-1-(phenylacetyl)-1H-1,2,4-triazol-5-yl methyl sulfide
Property Insights of 3-(4-chlorophenyl)-1-(phenylacetyl)-1H-1,2,4-triazol-5-yl methyl sulfide
The XLogP value of 4.2033 indicates that 3-(4-chlorophenyl)-1-(phenylacetyl)-1H-1,2,4-triazol-5-yl methyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, 3-(4-chlorophenyl)-1-(phenylacetyl)-1H-1,2,4-triazol-5-yl methyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-1-(phenylacetyl)-1H-1,2,4-triazol-5-yl methyl sulfide has 0 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 3-(4-chlorophenyl)-1-(phenylacetyl)-1H-1,2,4-triazol-5-yl methyl sulfide?
The CAS number of 3-(4-chlorophenyl)-1-(phenylacetyl)-1H-1,2,4-triazol-5-yl methyl sulfide is 713099-07-1.
What is the molecular formula of 3-(4-chlorophenyl)-1-(phenylacetyl)-1H-1,2,4-triazol-5-yl methyl sulfide?
The molecular formula of 3-(4-chlorophenyl)-1-(phenylacetyl)-1H-1,2,4-triazol-5-yl methyl sulfide is C17H14ClN3OS.
What is the molecular weight of 3-(4-chlorophenyl)-1-(phenylacetyl)-1H-1,2,4-triazol-5-yl methyl sulfide?
The molecular weight of 3-(4-chlorophenyl)-1-(phenylacetyl)-1H-1,2,4-triazol-5-yl methyl sulfide is 343.05 g/mol.
Where can I buy 3-(4-chlorophenyl)-1-(phenylacetyl)-1H-1,2,4-triazol-5-yl methyl sulfide?
You can request a quote for 3-(4-chlorophenyl)-1-(phenylacetyl)-1H-1,2,4-triazol-5-yl methyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-chlorophenyl)-1-(phenylacetyl)-1H-1,2,4-triazol-5-yl methyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-1-(phenylacetyl)-1H-1,2,4-triazol-5-yl methyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.