![propan-2-yl [(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate structure](/static/products/861/861453-89-6.png)
propan-2-yl [(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
TL;DR: propan-2-yl [(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate (CAS 861453-89-6) is a chemical compound with molecular formula C14H17N3O2S and molecular weight 291.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate
Also Known As: isopropyl 2-((4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate, propan-2-yl [(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate, propan-2-yl 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate
| Molecular Formula | C14H17N3O2S |
|---|---|
| Molecular Weight | 291.10 g/mol |
| LogP | 2.5258 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.10416 |
| Heavy Atoms | 20 |
| Complexity | 581.35986 |
Chemical Identifiers
| CAS Number | 861453-89-6 |
|---|---|
| SMILES | CC(C)OC(=O)CSC1=NN=C(N1C)C2=CC=CC=C2 |
Product Overview
propan-2-yl [(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate (CAS 861453-89-6), with molecular formula C14H17N3O2S and molecular weight 291.10 g/mol. IUPAC: propan-2-yl 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate.
Chemical Property Profile of propan-2-yl [(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Property Insights of propan-2-yl [(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
The XLogP value of 2.5258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for propan-2-yl [(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate. With a topological polar surface area (TPSA) of 57.01 Ų, propan-2-yl [(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, propan-2-yl [(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate 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 propan-2-yl [(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
The CAS number of propan-2-yl [(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate is 861453-89-6.
What is the molecular formula of propan-2-yl [(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
The molecular formula of propan-2-yl [(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate is C14H17N3O2S.
What is the molecular weight of propan-2-yl [(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
The molecular weight of propan-2-yl [(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate is 291.10 g/mol.
Where can I buy propan-2-yl [(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
You can request a quote for propan-2-yl [(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for propan-2-yl [(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for propan-2-yl [(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.