![2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydroxyphenyl)ethan-1-one structure](/static/products/7019/701920-60-7.webp)
2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydroxyphenyl)ethan-1-one
TL;DR: 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydroxyphenyl)ethan-1-one (CAS 701920-60-7) is a chemical compound with molecular formula C10H10N4O3S and molecular weight 266.05 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-(3,4-dihydroxyphenyl)ethanone
Also Known As: AB00682926-01, 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydroxyphenyl)ethan-1-one, 2-(5-amino(4H-1,2,4-triazol-3-ylthio))-1-(3,4-dihydroxyphenyl)ethan-1-one, 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone, 2-[(5-amino-2H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone
| Molecular Formula | C10H10N4O3S |
|---|---|
| Molecular Weight | 266.05 g/mol |
| LogP | 0.7731 |
| Topological Polar Surface Area | 125.12 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.04736 |
| Heavy Atoms | 18 |
| Complexity | 584.25183 |
Chemical Identifiers
| CAS Number | 701920-60-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)CSC2=NNC(=N2)N)O)O |
Product Overview
2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydroxyphenyl)ethan-1-one (CAS 701920-60-7), with molecular formula C10H10N4O3S and molecular weight 266.05 g/mol. IUPAC: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone.
Chemical Property Profile of 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydroxyphenyl)ethan-1-one
Property Insights of 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydroxyphenyl)ethan-1-one
The XLogP value of 0.7731 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydroxyphenyl)ethan-1-one. The TPSA of 125.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydroxyphenyl)ethan-1-one. Following Lipinski's Rule of Five, 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydroxyphenyl)ethan-1-one has 4 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 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydroxyphenyl)ethan-1-one?
The CAS number of 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydroxyphenyl)ethan-1-one is 701920-60-7.
What is the molecular formula of 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydroxyphenyl)ethan-1-one?
The molecular formula of 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydroxyphenyl)ethan-1-one is C10H10N4O3S.
What is the molecular weight of 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydroxyphenyl)ethan-1-one?
The molecular weight of 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydroxyphenyl)ethan-1-one is 266.05 g/mol.
Where can I buy 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydroxyphenyl)ethan-1-one?
You can request a quote for 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydroxyphenyl)ethan-1-one 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-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydroxyphenyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydroxyphenyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.