2-cyano-3-oxo-N-phenyl-3-(piperidin-1-yl)propanethioamide
TL;DR: 2-cyano-3-oxo-N-phenyl-3-(piperidin-1-yl)propanethioamide (CAS 488131-58-4) is a chemical compound with molecular formula C15H17N3OS and molecular weight 287.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-3-oxo-N-phenyl-3-piperidin-1-ylpropanethioamide
Also Known As: TOS-BB-0752, 2-cyano-3-oxo-N-phenyl-3-piperidin-1-ylpropanethioamide, 2-cyano-3-oxo-N-phenyl-3-(piperidin-1-yl)propanethioamide
| Molecular Formula | C15H17N3OS |
|---|---|
| Molecular Weight | 287.11 g/mol |
| LogP | 2.57818 |
| Topological Polar Surface Area | 56.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.10922 |
| Heavy Atoms | 20 |
| Complexity | 517.6702 |
Chemical Identifiers
| CAS Number | 488131-58-4 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)C(C#N)C(=S)NC2=CC=CC=C2 |
Product Overview
2-cyano-3-oxo-N-phenyl-3-(piperidin-1-yl)propanethioamide (CAS 488131-58-4), with molecular formula C15H17N3OS and molecular weight 287.11 g/mol. IUPAC: 2-cyano-3-oxo-N-phenyl-3-piperidin-1-ylpropanethioamide.
Chemical Property Profile of 2-cyano-3-oxo-N-phenyl-3-(piperidin-1-yl)propanethioamide
Property Insights of 2-cyano-3-oxo-N-phenyl-3-(piperidin-1-yl)propanethioamide
The XLogP value of 2.57818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-3-oxo-N-phenyl-3-(piperidin-1-yl)propanethioamide. With a topological polar surface area (TPSA) of 56.13 Ų, 2-cyano-3-oxo-N-phenyl-3-(piperidin-1-yl)propanethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-cyano-3-oxo-N-phenyl-3-(piperidin-1-yl)propanethioamide has 1 hydrogen bond donor(s) and 3 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-cyano-3-oxo-N-phenyl-3-(piperidin-1-yl)propanethioamide?
The CAS number of 2-cyano-3-oxo-N-phenyl-3-(piperidin-1-yl)propanethioamide is 488131-58-4.
What is the molecular formula of 2-cyano-3-oxo-N-phenyl-3-(piperidin-1-yl)propanethioamide?
The molecular formula of 2-cyano-3-oxo-N-phenyl-3-(piperidin-1-yl)propanethioamide is C15H17N3OS.
What is the molecular weight of 2-cyano-3-oxo-N-phenyl-3-(piperidin-1-yl)propanethioamide?
The molecular weight of 2-cyano-3-oxo-N-phenyl-3-(piperidin-1-yl)propanethioamide is 287.11 g/mol.
Where can I buy 2-cyano-3-oxo-N-phenyl-3-(piperidin-1-yl)propanethioamide?
You can request a quote for 2-cyano-3-oxo-N-phenyl-3-(piperidin-1-yl)propanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-cyano-3-oxo-N-phenyl-3-(piperidin-1-yl)propanethioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-3-oxo-N-phenyl-3-(piperidin-1-yl)propanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.