![3-{[4-(4-methoxyphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one structure](/static/products/847/847403-11-6.png)
3-{[4-(4-methoxyphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one
TL;DR: 3-{[4-(4-methoxyphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one (CAS 847403-11-6) is a chemical compound with molecular formula C18H16N4O2S2 and molecular weight 384.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one
Also Known As: 3-{[4-(4-methoxyphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one, 3-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one, 3-((4-(4-methoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one
| Molecular Formula | C18H16N4O2S2 |
|---|---|
| Molecular Weight | 384.07 g/mol |
| LogP | 3.4225 |
| Topological Polar Surface Area | 61.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.07147 |
| Heavy Atoms | 26 |
| Complexity | 1112.3813 |
Chemical Identifiers
| CAS Number | 847403-11-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SC)CN3C4=CC=CC=C4SC3=O |
Product Overview
3-{[4-(4-methoxyphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one (CAS 847403-11-6), with molecular formula C18H16N4O2S2 and molecular weight 384.07 g/mol. IUPAC: 3-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one.
Chemical Property Profile of 3-{[4-(4-methoxyphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one
Property Insights of 3-{[4-(4-methoxyphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one
The XLogP value of 3.4225 indicates that 3-{[4-(4-methoxyphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[4-(4-methoxyphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one. Following Lipinski's Rule of Five, 3-{[4-(4-methoxyphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-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-{[4-(4-methoxyphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one?
The CAS number of 3-{[4-(4-methoxyphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one is 847403-11-6.
What is the molecular formula of 3-{[4-(4-methoxyphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one?
The molecular formula of 3-{[4-(4-methoxyphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one is C18H16N4O2S2.
What is the molecular weight of 3-{[4-(4-methoxyphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one?
The molecular weight of 3-{[4-(4-methoxyphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one is 384.07 g/mol.
Where can I buy 3-{[4-(4-methoxyphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one?
You can request a quote for 3-{[4-(4-methoxyphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-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-{[4-(4-methoxyphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-{[4-(4-methoxyphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.