![2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone structure](/static/products/757/757225-11-9.png)
2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone
TL;DR: 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone (CAS 757225-11-9) is a chemical compound with molecular formula C12H14N4O3S and molecular weight 294.08 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-(3,4-dimethoxyphenyl)ethanone
Also Known As: 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone, 2-((5-amino-4H-1,2,4-triazol-3-yl)thio)-1-(3,4-dimethoxyphenyl)ethanone, 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone
| Molecular Formula | C12H14N4O3S |
|---|---|
| Molecular Weight | 294.08 g/mol |
| LogP | 1.3791 |
| Topological Polar Surface Area | 103.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 294.07867 |
| Heavy Atoms | 20 |
| Complexity | 614.49994 |
Chemical Identifiers
| CAS Number | 757225-11-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)CSC2=NNC(=N2)N)OC |
Product Overview
2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone (CAS 757225-11-9), with molecular formula C12H14N4O3S and molecular weight 294.08 g/mol. IUPAC: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone.
Chemical Property Profile of 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone
Property Insights of 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone
The XLogP value of 1.3791 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone. The TPSA of 103.12 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-dimethoxyphenyl)ethanone. Following Lipinski's Rule of Five, 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone 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 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone?
The CAS number of 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone is 757225-11-9.
What is the molecular formula of 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone?
The molecular formula of 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone is C12H14N4O3S.
What is the molecular weight of 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone?
The molecular weight of 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone is 294.08 g/mol.
Where can I buy 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone?
You can request a quote for 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)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-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.