N-(2,2-dichloro-1-cyanovinyl)propanamide
TL;DR: N-(2,2-dichloro-1-cyanovinyl)propanamide (CAS 49758-30-7) is a chemical compound with molecular formula C6H6Cl2N2O and molecular weight 191.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,2-dichloro-1-cyanoethenyl)propanamide
Also Known As: 3,3-dichloro-2-propionylamino-acrylonitrile, N-(2,2-dichloro-1-cyanovinyl)propanamide, N-(2,2-dichloro-1-cyanoethenyl)propanamide, N-(2,2-dichloro-1-cyanoeth-1-en-1-yl)propanamide
| Molecular Formula | C6H6Cl2N2O |
|---|---|
| Molecular Weight | 191.99 g/mol |
| LogP | 1.68288 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.98572 |
| Heavy Atoms | 11 |
| Complexity | 225.227 |
Chemical Identifiers
| CAS Number | 49758-30-7 |
|---|---|
| SMILES | CCC(=O)NC(=C(Cl)Cl)C#N |
Product Overview
N-(2,2-dichloro-1-cyanovinyl)propanamide (CAS 49758-30-7), with molecular formula C6H6Cl2N2O and molecular weight 191.99 g/mol. IUPAC: N-(2,2-dichloro-1-cyanoethenyl)propanamide.
Chemical Property Profile of N-(2,2-dichloro-1-cyanovinyl)propanamide
Property Insights of N-(2,2-dichloro-1-cyanovinyl)propanamide
The XLogP value of 1.68288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,2-dichloro-1-cyanovinyl)propanamide. With a topological polar surface area (TPSA) of 52.89 Ų, N-(2,2-dichloro-1-cyanovinyl)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,2-dichloro-1-cyanovinyl)propanamide has 1 hydrogen bond donor(s) and 2 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-(2,2-dichloro-1-cyanovinyl)propanamide?
The CAS number of N-(2,2-dichloro-1-cyanovinyl)propanamide is 49758-30-7.
What is the molecular formula of N-(2,2-dichloro-1-cyanovinyl)propanamide?
The molecular formula of N-(2,2-dichloro-1-cyanovinyl)propanamide is C6H6Cl2N2O.
What is the molecular weight of N-(2,2-dichloro-1-cyanovinyl)propanamide?
The molecular weight of N-(2,2-dichloro-1-cyanovinyl)propanamide is 191.99 g/mol.
Where can I buy N-(2,2-dichloro-1-cyanovinyl)propanamide?
You can request a quote for N-(2,2-dichloro-1-cyanovinyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,2-dichloro-1-cyanovinyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,2-dichloro-1-cyanovinyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.