![2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide structure](/static/products/847/847402-88-4.png)
2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
TL;DR: 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide (CAS 847402-88-4) is a chemical compound with molecular formula C24H25N5O3S2 and molecular weight 495.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
Also Known As: 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide, 2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide, 2-{[4-(2-methylphenyl)-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
| Molecular Formula | C24H25N5O3S2 |
|---|---|
| Molecular Weight | 495.14 g/mol |
| LogP | 3.38772 |
| Topological Polar Surface Area | 91.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 495.1399 |
| Heavy Atoms | 34 |
| Complexity | 1370.451 |
Chemical Identifiers
| CAS Number | 847402-88-4 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NCC3CCCO3)CN4C5=CC=CC=C5SC4=O |
Product Overview
2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide (CAS 847402-88-4), with molecular formula C24H25N5O3S2 and molecular weight 495.14 g/mol. IUPAC: 2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.
Chemical Property Profile of 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
Property Insights of 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
The XLogP value of 3.38772 indicates that 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide. Following Lipinski's Rule of Five, 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide has 1 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-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide?
The CAS number of 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide is 847402-88-4.
What is the molecular formula of 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide?
The molecular formula of 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide is C24H25N5O3S2.
What is the molecular weight of 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide?
The molecular weight of 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide is 495.14 g/mol.
Where can I buy 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide?
You can request a quote for 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.