![3-((4-(4-methoxyphenyl)-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one structure](/static/products/847/847403-22-9.png)
3-((4-(4-methoxyphenyl)-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one
TL;DR: 3-((4-(4-methoxyphenyl)-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one (CAS 847403-22-9) 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.
3-[[4-(4-methoxyphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one
Also Known As: 3-((4-(4-methoxyphenyl)-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one, 3-[[4-(4-methoxyphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one, 3-{[4-(4-methoxyphenyl)-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one
| Molecular Formula | C24H25N5O3S2 |
|---|---|
| Molecular Weight | 495.14 g/mol |
| LogP | 3.8052 |
| Topological Polar Surface Area | 82.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.1399 |
| Heavy Atoms | 34 |
| Complexity | 1353.201 |
Chemical Identifiers
| CAS Number | 847403-22-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCCC3)CN4C5=CC=CC=C5SC4=O |
Product Overview
3-((4-(4-methoxyphenyl)-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one (CAS 847403-22-9), with molecular formula C24H25N5O3S2 and molecular weight 495.14 g/mol. IUPAC: 3-[[4-(4-methoxyphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one.
Chemical Property Profile of 3-((4-(4-methoxyphenyl)-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one
Property Insights of 3-((4-(4-methoxyphenyl)-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one
The XLogP value of 3.8052 indicates that 3-((4-(4-methoxyphenyl)-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-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 82.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-(4-methoxyphenyl)-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one. Following Lipinski's Rule of Five, 3-((4-(4-methoxyphenyl)-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one has 0 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 3-((4-(4-methoxyphenyl)-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one?
The CAS number of 3-((4-(4-methoxyphenyl)-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one is 847403-22-9.
What is the molecular formula of 3-((4-(4-methoxyphenyl)-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one?
The molecular formula of 3-((4-(4-methoxyphenyl)-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one is C24H25N5O3S2.
What is the molecular weight of 3-((4-(4-methoxyphenyl)-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one?
The molecular weight of 3-((4-(4-methoxyphenyl)-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one is 495.14 g/mol.
Where can I buy 3-((4-(4-methoxyphenyl)-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one?
You can request a quote for 3-((4-(4-methoxyphenyl)-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-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-((4-(4-methoxyphenyl)-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-(4-methoxyphenyl)-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-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.