![3-chloro-N-[1,2-dicyano-2-(2,5-dimethylpyrrol-1-yl)ethenyl]-2,2-dimethylpropanamide structure](/static/products/861/861210-16-4.png)
3-chloro-N-[1,2-dicyano-2-(2,5-dimethylpyrrol-1-yl)ethenyl]-2,2-dimethylpropanamide
TL;DR: 3-chloro-N-[1,2-dicyano-2-(2,5-dimethylpyrrol-1-yl)ethenyl]-2,2-dimethylpropanamide (CAS 861210-16-4) is a chemical compound with molecular formula C15H17ClN4O and molecular weight 304.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[1,2-dicyano-2-(2,5-dimethylpyrrol-1-yl)ethenyl]-2,2-dimethylpropanamide
Also Known As: 3-chloro-N-[1,2-dicyano-2-(2,5-dimethylpyrrol-1-yl)ethenyl]-2,2-dimethylpropanamide, 3-chloro-N-[(E)-1,2-dicyano-2-(2,5-dimethyl-1H-pyrrol-1-yl)ethenyl]-2,2-dimethylpropanamide
| Molecular Formula | C15H17ClN4O |
|---|---|
| Molecular Weight | 304.11 g/mol |
| LogP | 2.7019 |
| Topological Polar Surface Area | 81.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.1091 |
| Heavy Atoms | 21 |
| Complexity | 651.32623 |
Chemical Identifiers
| CAS Number | 861210-16-4 |
|---|---|
| SMILES | CC1=CC=C(N1C(=C(C#N)NC(=O)C(C)(C)CCl)C#N)C |
Product Overview
3-chloro-N-[1,2-dicyano-2-(2,5-dimethylpyrrol-1-yl)ethenyl]-2,2-dimethylpropanamide (CAS 861210-16-4), with molecular formula C15H17ClN4O and molecular weight 304.11 g/mol. IUPAC: 3-chloro-N-[1,2-dicyano-2-(2,5-dimethylpyrrol-1-yl)ethenyl]-2,2-dimethylpropanamide.
Chemical Property Profile of 3-chloro-N-[1,2-dicyano-2-(2,5-dimethylpyrrol-1-yl)ethenyl]-2,2-dimethylpropanamide
Property Insights of 3-chloro-N-[1,2-dicyano-2-(2,5-dimethylpyrrol-1-yl)ethenyl]-2,2-dimethylpropanamide
The XLogP value of 2.7019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-N-[1,2-dicyano-2-(2,5-dimethylpyrrol-1-yl)ethenyl]-2,2-dimethylpropanamide. The TPSA of 81.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N-[1,2-dicyano-2-(2,5-dimethylpyrrol-1-yl)ethenyl]-2,2-dimethylpropanamide. Following Lipinski's Rule of Five, 3-chloro-N-[1,2-dicyano-2-(2,5-dimethylpyrrol-1-yl)ethenyl]-2,2-dimethylpropanamide 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-chloro-N-[1,2-dicyano-2-(2,5-dimethylpyrrol-1-yl)ethenyl]-2,2-dimethylpropanamide?
The CAS number of 3-chloro-N-[1,2-dicyano-2-(2,5-dimethylpyrrol-1-yl)ethenyl]-2,2-dimethylpropanamide is 861210-16-4.
What is the molecular formula of 3-chloro-N-[1,2-dicyano-2-(2,5-dimethylpyrrol-1-yl)ethenyl]-2,2-dimethylpropanamide?
The molecular formula of 3-chloro-N-[1,2-dicyano-2-(2,5-dimethylpyrrol-1-yl)ethenyl]-2,2-dimethylpropanamide is C15H17ClN4O.
What is the molecular weight of 3-chloro-N-[1,2-dicyano-2-(2,5-dimethylpyrrol-1-yl)ethenyl]-2,2-dimethylpropanamide?
The molecular weight of 3-chloro-N-[1,2-dicyano-2-(2,5-dimethylpyrrol-1-yl)ethenyl]-2,2-dimethylpropanamide is 304.11 g/mol.
Where can I buy 3-chloro-N-[1,2-dicyano-2-(2,5-dimethylpyrrol-1-yl)ethenyl]-2,2-dimethylpropanamide?
You can request a quote for 3-chloro-N-[1,2-dicyano-2-(2,5-dimethylpyrrol-1-yl)ethenyl]-2,2-dimethylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-[1,2-dicyano-2-(2,5-dimethylpyrrol-1-yl)ethenyl]-2,2-dimethylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-[1,2-dicyano-2-(2,5-dimethylpyrrol-1-yl)ethenyl]-2,2-dimethylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.