![3-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one structure](/static/products/847/847401-11-0.png)
3-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one
TL;DR: 3-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one (CAS 847401-11-0) is a chemical compound with molecular formula C24H25N5O2S2 and molecular weight 479.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one
Also Known As: 3-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one, 3-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,3-benzothiazol-2-one, 3-[[5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one
| Molecular Formula | C24H25N5O2S2 |
|---|---|
| Molecular Weight | 479.14 g/mol |
| LogP | 4.1867 |
| Topological Polar Surface Area | 73.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.14496 |
| Heavy Atoms | 33 |
| Complexity | 1303.3958 |
Chemical Identifiers
| CAS Number | 847401-11-0 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4C5=CC=CC=C5SC4=O |
Product Overview
3-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one (CAS 847401-11-0), with molecular formula C24H25N5O2S2 and molecular weight 479.14 g/mol. IUPAC: 3-[[5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one.
Chemical Property Profile of 3-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one
Property Insights of 3-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one
The XLogP value of 4.1867 indicates that 3-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one. Following Lipinski's Rule of Five, 3-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-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-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one?
The CAS number of 3-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one is 847401-11-0.
What is the molecular formula of 3-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one?
The molecular formula of 3-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one is C24H25N5O2S2.
What is the molecular weight of 3-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one?
The molecular weight of 3-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one is 479.14 g/mol.
Where can I buy 3-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one?
You can request a quote for 3-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.