3,5-Bis((2-oxo-2-(1-piperidinyl)ethyl)thio)-4-isothiazolecarbonitrile
TL;DR: 3,5-Bis((2-oxo-2-(1-piperidinyl)ethyl)thio)-4-isothiazolecarbonitrile (CAS 332869-31-5) is a chemical compound with molecular formula C18H24N4O2S3 and molecular weight 424.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis[(2-oxo-2-piperidin-1-ylethyl)sulfanyl]-1,2-thiazole-4-carbonitrile
Also Known As: TimTec1_006536, BAS 01862150, 3,5-bis{[2-oxo-2-(1-piperidinyl)ethyl]thio}-4-isothiazolecarbonitrile, 3,5-BIS((2-OXO-2-(1-PIPERIDINYL)ETHYL)THIO)-4-ISOTHIAZOLECARBONITRILE, 3,5-bis[(2-oxo-2-piperidin-1-ylethyl)sulfanyl]-1,2-thiazole-4-carbonitrile
| Molecular Formula | C18H24N4O2S3 |
|---|---|
| Molecular Weight | 424.11 g/mol |
| LogP | 3.22398 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.10614 |
| Heavy Atoms | 27 |
| Complexity | 652.4502 |
Chemical Identifiers
| CAS Number | 332869-31-5 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)CSC2=C(C(=NS2)SCC(=O)N3CCCCC3)C#N |
Product Overview
3,5-Bis((2-oxo-2-(1-piperidinyl)ethyl)thio)-4-isothiazolecarbonitrile (CAS 332869-31-5), with molecular formula C18H24N4O2S3 and molecular weight 424.11 g/mol. IUPAC: 3,5-bis[(2-oxo-2-piperidin-1-ylethyl)sulfanyl]-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 3,5-Bis((2-oxo-2-(1-piperidinyl)ethyl)thio)-4-isothiazolecarbonitrile
Property Insights of 3,5-Bis((2-oxo-2-(1-piperidinyl)ethyl)thio)-4-isothiazolecarbonitrile
The XLogP value of 3.22398 indicates that 3,5-Bis((2-oxo-2-(1-piperidinyl)ethyl)thio)-4-isothiazolecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Bis((2-oxo-2-(1-piperidinyl)ethyl)thio)-4-isothiazolecarbonitrile. Following Lipinski's Rule of Five, 3,5-Bis((2-oxo-2-(1-piperidinyl)ethyl)thio)-4-isothiazolecarbonitrile 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 3,5-Bis((2-oxo-2-(1-piperidinyl)ethyl)thio)-4-isothiazolecarbonitrile?
The CAS number of 3,5-Bis((2-oxo-2-(1-piperidinyl)ethyl)thio)-4-isothiazolecarbonitrile is 332869-31-5.
What is the molecular formula of 3,5-Bis((2-oxo-2-(1-piperidinyl)ethyl)thio)-4-isothiazolecarbonitrile?
The molecular formula of 3,5-Bis((2-oxo-2-(1-piperidinyl)ethyl)thio)-4-isothiazolecarbonitrile is C18H24N4O2S3.
What is the molecular weight of 3,5-Bis((2-oxo-2-(1-piperidinyl)ethyl)thio)-4-isothiazolecarbonitrile?
The molecular weight of 3,5-Bis((2-oxo-2-(1-piperidinyl)ethyl)thio)-4-isothiazolecarbonitrile is 424.11 g/mol.
Where can I buy 3,5-Bis((2-oxo-2-(1-piperidinyl)ethyl)thio)-4-isothiazolecarbonitrile?
You can request a quote for 3,5-Bis((2-oxo-2-(1-piperidinyl)ethyl)thio)-4-isothiazolecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis((2-oxo-2-(1-piperidinyl)ethyl)thio)-4-isothiazolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis((2-oxo-2-(1-piperidinyl)ethyl)thio)-4-isothiazolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.