![3-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,3-benzothiazol-2-one structure](/static/products/847/847402-50-0.png)
3-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,3-benzothiazol-2-one
TL;DR: 3-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,3-benzothiazol-2-one (CAS 847402-50-0) 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-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one
Also Known As: 3-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,3-benzothiazol-2-one, 3-((5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one, 3-[[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one, 3-[[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-4-phenethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one
| Molecular Formula | C24H25N5O2S2 |
|---|---|
| Molecular Weight | 479.14 g/mol |
| LogP | 3.66 |
| Topological Polar Surface Area | 73.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 479.14496 |
| Heavy Atoms | 33 |
| Complexity | 1305.3958 |
Chemical Identifiers
| CAS Number | 847402-50-0 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)CN4C5=CC=CC=C5SC4=O |
Product Overview
3-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,3-benzothiazol-2-one (CAS 847402-50-0), with molecular formula C24H25N5O2S2 and molecular weight 479.14 g/mol. IUPAC: 3-[[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one.
Chemical Property Profile of 3-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,3-benzothiazol-2-one
Property Insights of 3-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,3-benzothiazol-2-one
The XLogP value of 3.66 indicates that 3-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4-(2-phenylethyl)-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 73.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,3-benzothiazol-2-one. Following Lipinski's Rule of Five, 3-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4-(2-phenylethyl)-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-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,3-benzothiazol-2-one?
The CAS number of 3-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,3-benzothiazol-2-one is 847402-50-0.
What is the molecular formula of 3-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,3-benzothiazol-2-one?
The molecular formula of 3-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,3-benzothiazol-2-one is C24H25N5O2S2.
What is the molecular weight of 3-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,3-benzothiazol-2-one?
The molecular weight of 3-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,3-benzothiazol-2-one is 479.14 g/mol.
Where can I buy 3-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,3-benzothiazol-2-one?
You can request a quote for 3-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4-(2-phenylethyl)-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-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4-(2-phenylethyl)-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-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4-(2-phenylethyl)-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.