![ethyl 2-[(3-{[(3-methylphenyl)sulfonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate structure](/static/products/866/866010-90-4.png)
ethyl 2-[(3-{[(3-methylphenyl)sulfonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate
TL;DR: ethyl 2-[(3-{[(3-methylphenyl)sulfonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate (CAS 866010-90-4) is a chemical compound with molecular formula C13H16N4O4S2 and molecular weight 356.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[(3-methylphenyl)sulfonylamino]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: ethyl 2-[(3-{[(3-methylphenyl)sulfonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate, ethyl 2-{[3-(3-methylbenzenesulfonamido)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate, ethyl 2-[[5-[(3-methylphenyl)sulfonylamino]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate, ethyl 2-[[5-(m-tolylsulfonylamino)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate, ethyl2-{[3-(3-methylbenzenesulfonamido)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate
| Molecular Formula | C13H16N4O4S2 |
|---|---|
| Molecular Weight | 356.06 g/mol |
| LogP | 1.56912 |
| Topological Polar Surface Area | 114.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 356.0613 |
| Heavy Atoms | 23 |
| Complexity | 788.77716 |
Chemical Identifiers
| CAS Number | 866010-90-4 |
|---|---|
| SMILES | CCOC(=O)CSC1=NNC(=N1)NS(=O)(=O)C2=CC=CC(=C2)C |
Product Overview
ethyl 2-[(3-{[(3-methylphenyl)sulfonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate (CAS 866010-90-4), with molecular formula C13H16N4O4S2 and molecular weight 356.06 g/mol. IUPAC: ethyl 2-[[5-[(3-methylphenyl)sulfonylamino]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of ethyl 2-[(3-{[(3-methylphenyl)sulfonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate
Property Insights of ethyl 2-[(3-{[(3-methylphenyl)sulfonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate
The XLogP value of 1.56912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[(3-{[(3-methylphenyl)sulfonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate. The TPSA of 114.04 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[(3-{[(3-methylphenyl)sulfonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, ethyl 2-[(3-{[(3-methylphenyl)sulfonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate has 2 hydrogen bond donor(s) and 7 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 ethyl 2-[(3-{[(3-methylphenyl)sulfonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate?
The CAS number of ethyl 2-[(3-{[(3-methylphenyl)sulfonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate is 866010-90-4.
What is the molecular formula of ethyl 2-[(3-{[(3-methylphenyl)sulfonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate?
The molecular formula of ethyl 2-[(3-{[(3-methylphenyl)sulfonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate is C13H16N4O4S2.
What is the molecular weight of ethyl 2-[(3-{[(3-methylphenyl)sulfonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate?
The molecular weight of ethyl 2-[(3-{[(3-methylphenyl)sulfonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate is 356.06 g/mol.
Where can I buy ethyl 2-[(3-{[(3-methylphenyl)sulfonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate?
You can request a quote for ethyl 2-[(3-{[(3-methylphenyl)sulfonyl]amino}-1H-1,2,4-triazol-5-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 ethyl 2-[(3-{[(3-methylphenyl)sulfonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(3-{[(3-methylphenyl)sulfonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.