3-(5-Chloro-2-thienyl)-2-cyanoacrylamide
TL;DR: 3-(5-Chloro-2-thienyl)-2-cyanoacrylamide (CAS 97006-48-9) is a chemical compound with molecular formula C8H5ClN2OS and molecular weight 211.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(5-chlorothiophen-2-yl)-2-cyanoprop-2-enamide
Also Known As: 3-(5-chloro-2-thienyl)-2-cyanoacrylamide, 3-(5-chlorothiophen-2-yl)-2-cyanoprop-2-enamide, (2E)-3-(5-chloro(2-thienyl))-2-cyanoprop-2-enamide, (2E)-3-(5-chlorothiophen-2-yl)-2-cyanoprop-2-enamide, (E)-3-(5-chlorothiophen-2-yl)-2-cyanoprop-2-enamide
| Molecular Formula | C8H5ClN2OS |
|---|---|
| Molecular Weight | 211.98 g/mol |
| LogP | 1.79378 |
| Topological Polar Surface Area | 66.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.98111 |
| Heavy Atoms | 13 |
| Complexity | 402.52167 |
Chemical Identifiers
| CAS Number | 97006-48-9 |
|---|---|
| SMILES | C1=C(SC(=C1)Cl)/C=C(\C#N)/C(=O)N |
Product Overview
3-(5-Chloro-2-thienyl)-2-cyanoacrylamide (CAS 97006-48-9), with molecular formula C8H5ClN2OS and molecular weight 211.98 g/mol. IUPAC: (E)-3-(5-chlorothiophen-2-yl)-2-cyanoprop-2-enamide.
Chemical Property Profile of 3-(5-Chloro-2-thienyl)-2-cyanoacrylamide
Property Insights of 3-(5-Chloro-2-thienyl)-2-cyanoacrylamide
The XLogP value of 1.79378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-Chloro-2-thienyl)-2-cyanoacrylamide. The TPSA of 66.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-Chloro-2-thienyl)-2-cyanoacrylamide. Following Lipinski's Rule of Five, 3-(5-Chloro-2-thienyl)-2-cyanoacrylamide 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 3-(5-Chloro-2-thienyl)-2-cyanoacrylamide?
The CAS number of 3-(5-Chloro-2-thienyl)-2-cyanoacrylamide is 97006-48-9.
What is the molecular formula of 3-(5-Chloro-2-thienyl)-2-cyanoacrylamide?
The molecular formula of 3-(5-Chloro-2-thienyl)-2-cyanoacrylamide is C8H5ClN2OS.
What is the molecular weight of 3-(5-Chloro-2-thienyl)-2-cyanoacrylamide?
The molecular weight of 3-(5-Chloro-2-thienyl)-2-cyanoacrylamide is 211.98 g/mol.
Where can I buy 3-(5-Chloro-2-thienyl)-2-cyanoacrylamide?
You can request a quote for 3-(5-Chloro-2-thienyl)-2-cyanoacrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-Chloro-2-thienyl)-2-cyanoacrylamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Chloro-2-thienyl)-2-cyanoacrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.