![3-[2-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]chromen-2-one structure](/static/products/7252/725224-65-7.webp)
3-[2-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]chromen-2-one
TL;DR: 3-[2-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]chromen-2-one (CAS 725224-65-7) is a chemical compound with molecular formula C14H11N3O3S and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]chromen-2-one
Also Known As: CBKinase1_008923, CBKinase1_021323, 3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]chromen-2-one, BRD-K05892070-001-01-3, 3-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]coumarin
| Molecular Formula | C14H11N3O3S |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 1.8965 |
| Topological Polar Surface Area | 77.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.05212 |
| Heavy Atoms | 21 |
| Complexity | 869.0268 |
Chemical Identifiers
| CAS Number | 725224-65-7 |
|---|---|
| SMILES | CN1C=NN=C1SCC(=O)C2=CC3=CC=CC=C3OC2=O |
Product Overview
3-[2-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]chromen-2-one (CAS 725224-65-7), with molecular formula C14H11N3O3S and molecular weight 301.05 g/mol. IUPAC: 3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]chromen-2-one.
Chemical Property Profile of 3-[2-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]chromen-2-one
Property Insights of 3-[2-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]chromen-2-one
The XLogP value of 1.8965 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]chromen-2-one. The TPSA of 77.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]chromen-2-one. Following Lipinski's Rule of Five, 3-[2-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]chromen-2-one 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 3-[2-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]chromen-2-one?
The CAS number of 3-[2-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]chromen-2-one is 725224-65-7.
What is the molecular formula of 3-[2-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]chromen-2-one?
The molecular formula of 3-[2-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]chromen-2-one is C14H11N3O3S.
What is the molecular weight of 3-[2-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]chromen-2-one?
The molecular weight of 3-[2-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]chromen-2-one is 301.05 g/mol.
Where can I buy 3-[2-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]chromen-2-one?
You can request a quote for 3-[2-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.