3-chloro-N-(3-cyanothiophen-2-yl)propanamide
TL;DR: 3-chloro-N-(3-cyanothiophen-2-yl)propanamide (CAS 785792-26-9) is a chemical compound with molecular formula C8H7ClN2OS and molecular weight 213.99677 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-N-(3-cyanothiophen-2-yl)propanamide
Also Known As: 3-chloro-N-(3-cyanothiophen-2-yl)propanamide, 3-chloro-N-(3-cyanothien-2-yl)propanamide, 3-chloro-N-(3-cyano-2-thienyl)propanamide, G36268
Technical Specifications
| Molecular Formula | C8H7ClN2OS |
| Molecular Weight | 213.99677 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 81.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.99677 Da |
| Heavy Atoms | 13 |
| Complexity | 238.0 |
| SMILES | C1=CSC(=C1C#N)NC(=O)CCCl |
| InChIKey | MSABSTAUNYDPGV-UHFFFAOYSA-N |
Chemical Property Profile of 3-chloro-N-(3-cyanothiophen-2-yl)propanamide
Property Insights of 3-chloro-N-(3-cyanothiophen-2-yl)propanamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-N-(3-cyanothiophen-2-yl)propanamide. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N-(3-cyanothiophen-2-yl)propanamide. Following Lipinski's Rule of Five, 3-chloro-N-(3-cyanothiophen-2-yl)propanamide 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
What is the CAS number of 3-chloro-N-(3-cyanothiophen-2-yl)propanamide?
The CAS number of 3-chloro-N-(3-cyanothiophen-2-yl)propanamide is 785792-26-9.
What is the molecular formula of 3-chloro-N-(3-cyanothiophen-2-yl)propanamide?
The molecular formula of 3-chloro-N-(3-cyanothiophen-2-yl)propanamide is C8H7ClN2OS.
What is the molecular weight of 3-chloro-N-(3-cyanothiophen-2-yl)propanamide?
The molecular weight of 3-chloro-N-(3-cyanothiophen-2-yl)propanamide is 213.99677 g/mol.
Where can I buy 3-chloro-N-(3-cyanothiophen-2-yl)propanamide?
You can request a quote for 3-chloro-N-(3-cyanothiophen-2-yl)propanamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-chloro-N-(3-cyanothiophen-2-yl)propanamide?
Yes, CoreyChem provides custom synthesis services for 3-chloro-N-(3-cyanothiophen-2-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.