1-(4-(3-(3,5-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)phenyl)ethanone
TL;DR: 1-(4-(3-(3,5-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)phenyl)ethanone (CAS 674331-87-4) is a chemical compound with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[3-(3,5-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone
Also Known As: 1-(4-(3-(3,5-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)phenyl)ethanone, 1-[4-[3-(3,5-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone, 1-{4-[3-(3,5-dimethoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}ethanone
| Molecular Formula | C18H17N3O3S |
|---|---|
| Molecular Weight | 355.10 g/mol |
| LogP | 3.81669 |
| Topological Polar Surface Area | 69.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.09906 |
| Heavy Atoms | 25 |
| Complexity | 951.7265 |
Chemical Identifiers
| CAS Number | 674331-87-4 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC(=CC(=C3)OC)OC |
Product Overview
1-(4-(3-(3,5-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)phenyl)ethanone (CAS 674331-87-4), with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol. IUPAC: 1-[4-[3-(3,5-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone.
Chemical Property Profile of 1-(4-(3-(3,5-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)phenyl)ethanone
Property Insights of 1-(4-(3-(3,5-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)phenyl)ethanone
The XLogP value of 3.81669 indicates that 1-(4-(3-(3,5-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)phenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-(3-(3,5-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)phenyl)ethanone. Following Lipinski's Rule of Five, 1-(4-(3-(3,5-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)phenyl)ethanone has 1 hydrogen bond donor(s) and 5 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 1-(4-(3-(3,5-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)phenyl)ethanone?
The CAS number of 1-(4-(3-(3,5-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)phenyl)ethanone is 674331-87-4.
What is the molecular formula of 1-(4-(3-(3,5-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)phenyl)ethanone?
The molecular formula of 1-(4-(3-(3,5-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)phenyl)ethanone is C18H17N3O3S.
What is the molecular weight of 1-(4-(3-(3,5-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)phenyl)ethanone?
The molecular weight of 1-(4-(3-(3,5-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)phenyl)ethanone is 355.10 g/mol.
Where can I buy 1-(4-(3-(3,5-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)phenyl)ethanone?
You can request a quote for 1-(4-(3-(3,5-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)phenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-(3-(3,5-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)phenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-(3-(3,5-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)phenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.