N-(3-Cyano-4,5-dimethyl-2-thienyl)acetamide
TL;DR: N-(3-Cyano-4,5-dimethyl-2-thienyl)acetamide (CAS 117377-79-4) is a chemical compound with molecular formula C9H10N2OS and molecular weight 194.05 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)acetamide
Also Known As: N-(3-Cyano-4,5-dimethyl-2-thienyl)acetamide, N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide, TimTec1_004960, Acetamide, N-(3-cyano-4,5-dimethyl-2-thienyl)-, 3-amino-5-phenylamino-isothiazole-4-carbonitrile
| Molecular Formula | C9H10N2OS |
|---|---|
| Molecular Weight | 194.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.05139 |
| Heavy Atoms | 13 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 117377-79-4 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C)C |
| InChIKey | KQGQIJBFNSFSGQ-UHFFFAOYSA-N |
Product Overview
N-(3-Cyano-4,5-dimethyl-2-thienyl)acetamide (CAS 117377-79-4), with molecular formula C9H10N2OS and molecular weight 194.05 g/mol. IUPAC: N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide.
Chemical Property Profile of N-(3-Cyano-4,5-dimethyl-2-thienyl)acetamide
Property Insights of N-(3-Cyano-4,5-dimethyl-2-thienyl)acetamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Cyano-4,5-dimethyl-2-thienyl)acetamide. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-Cyano-4,5-dimethyl-2-thienyl)acetamide. Following Lipinski's Rule of Five, N-(3-Cyano-4,5-dimethyl-2-thienyl)acetamide 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-dimethyl-2-thienyl)acetamide?
The CAS number of N-(3-Cyano-4,5-dimethyl-2-thienyl)acetamide is 117377-79-4.
What is the molecular formula of N-(3-Cyano-4,5-dimethyl-2-thienyl)acetamide?
The molecular formula of N-(3-Cyano-4,5-dimethyl-2-thienyl)acetamide is C9H10N2OS.
What is the molecular weight of N-(3-Cyano-4,5-dimethyl-2-thienyl)acetamide?
The molecular weight of N-(3-Cyano-4,5-dimethyl-2-thienyl)acetamide is 194.05 g/mol.
Where can I buy N-(3-Cyano-4,5-dimethyl-2-thienyl)acetamide?
You can request a quote for N-(3-Cyano-4,5-dimethyl-2-thienyl)acetamide 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-dimethyl-2-thienyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Cyano-4,5-dimethyl-2-thienyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.