N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methylpropanamide
TL;DR: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methylpropanamide (CAS 560078-63-9) is a chemical compound with molecular formula C11H14N2OS and molecular weight 222.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methylpropanamide
Also Known As: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methylpropanamide, N-(3-cyano-4,5-dimethylthiophen-2-yl)isobutyramide, BAS 11134075, AB01319497-02, AO-548/14637020
| Molecular Formula | C11H14N2OS |
|---|---|
| Molecular Weight | 222.08 g/mol |
| LogP | 2.83112 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.08269 |
| Heavy Atoms | 15 |
| Complexity | 426.5317 |
Chemical Identifiers
| CAS Number | 560078-63-9 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C(C)C)C |
Product Overview
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methylpropanamide (CAS 560078-63-9), with molecular formula C11H14N2OS and molecular weight 222.08 g/mol. IUPAC: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methylpropanamide.
Chemical Property Profile of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methylpropanamide
Property Insights of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methylpropanamide
The XLogP value of 2.83112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methylpropanamide. With a topological polar surface area (TPSA) of 52.89 Ų, N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methylpropanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methylpropanamide 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 N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methylpropanamide?
The CAS number of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methylpropanamide is 560078-63-9.
What is the molecular formula of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methylpropanamide?
The molecular formula of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methylpropanamide is C11H14N2OS.
What is the molecular weight of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methylpropanamide?
The molecular weight of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methylpropanamide is 222.08 g/mol.
Where can I buy N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methylpropanamide?
You can request a quote for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.