2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(4-phenoxyphenyl)ethanone
TL;DR: 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(4-phenoxyphenyl)ethanone (CAS 690646-46-9) is a chemical compound with molecular formula C16H14N4O2S and molecular weight 326.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone
Also Known As: CBKinase1_007388, CBKinase1_019788, VU0618403-1, BRD-K48832129-001-01-9, 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethan-1-one
| Molecular Formula | C16H14N4O2S |
|---|---|
| Molecular Weight | 326.08 g/mol |
| LogP | 3.1542 |
| Topological Polar Surface Area | 93.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.08374 |
| Heavy Atoms | 23 |
| Complexity | 787.3546 |
Chemical Identifiers
| CAS Number | 690646-46-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)CSC3=NNC(=N3)N |
Product Overview
2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(4-phenoxyphenyl)ethanone (CAS 690646-46-9), with molecular formula C16H14N4O2S and molecular weight 326.08 g/mol. IUPAC: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone.
Chemical Property Profile of 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(4-phenoxyphenyl)ethanone
Property Insights of 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(4-phenoxyphenyl)ethanone
The XLogP value of 3.1542 indicates that 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(4-phenoxyphenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(4-phenoxyphenyl)ethanone. Following Lipinski's Rule of Five, 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(4-phenoxyphenyl)ethanone has 2 hydrogen bond donor(s) and 6 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 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(4-phenoxyphenyl)ethanone?
The CAS number of 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(4-phenoxyphenyl)ethanone is 690646-46-9.
What is the molecular formula of 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(4-phenoxyphenyl)ethanone?
The molecular formula of 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(4-phenoxyphenyl)ethanone is C16H14N4O2S.
What is the molecular weight of 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(4-phenoxyphenyl)ethanone?
The molecular weight of 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(4-phenoxyphenyl)ethanone is 326.08 g/mol.
Where can I buy 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(4-phenoxyphenyl)ethanone?
You can request a quote for 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(4-phenoxyphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(4-phenoxyphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(4-phenoxyphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.