(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)methanone
TL;DR: (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)methanone (CAS 1024446-68-1) is a chemical compound with molecular formula C22H16N4O2S and molecular weight 400.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)methanone
Also Known As: (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)methanone, 5-METHYL-3-PHENYLISOXAZOL-4-YL 5-PHENYL-3-PROP-2-YNYLTHIO(1,2,4-TRIAZOLYL) KETONE, (5-methyl-3-phenyl-isoxazol-4-yl)-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)methanone
| Molecular Formula | C22H16N4O2S |
|---|---|
| Molecular Weight | 400.10 g/mol |
| LogP | 4.32232 |
| Topological Polar Surface Area | 73.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.0994 |
| Heavy Atoms | 29 |
| Complexity | 1190.7877 |
Chemical Identifiers
| CAS Number | 1024446-68-1 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3C(=NC(=N3)SCC#C)C4=CC=CC=C4 |
Product Overview
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)methanone (CAS 1024446-68-1), with molecular formula C22H16N4O2S and molecular weight 400.10 g/mol. IUPAC: (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)methanone.
Chemical Property Profile of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)methanone
Property Insights of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)methanone
The XLogP value of 4.32232 indicates that (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.81 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)methanone. Following Lipinski's Rule of Five, (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)methanone has 0 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 (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)methanone?
The CAS number of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)methanone is 1024446-68-1.
What is the molecular formula of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)methanone?
The molecular formula of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)methanone is C22H16N4O2S.
What is the molecular weight of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)methanone?
The molecular weight of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)methanone is 400.10 g/mol.
Where can I buy (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)methanone?
You can request a quote for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.