![2-{[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylene}malononitrile structure](/static/products/866/866038-31-5.png)
2-{[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylene}malononitrile
TL;DR: 2-{[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylene}malononitrile (CAS 866038-31-5) is a chemical compound with molecular formula C10H6ClN3O and molecular weight 219.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylidene]propanedinitrile
Also Known As: 2-{[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylene}malononitrile, 2-{[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylidene}propanedinitrile, 4X-0854, 2-[[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylidene]propanedinitrile, 2-[[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylene]propanedinitrile
| Molecular Formula | C10H6ClN3O |
|---|---|
| Molecular Weight | 219.02 g/mol |
| LogP | 1.86676 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.01994 |
| Heavy Atoms | 15 |
| Complexity | 471.50116 |
Chemical Identifiers
| CAS Number | 866038-31-5 |
|---|---|
| SMILES | C1=C(NC=C1C(=O)CCl)C=C(C#N)C#N |
Product Overview
2-{[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylene}malononitrile (CAS 866038-31-5), with molecular formula C10H6ClN3O and molecular weight 219.02 g/mol. IUPAC: 2-[[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylidene]propanedinitrile.
Chemical Property Profile of 2-{[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylene}malononitrile
Property Insights of 2-{[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylene}malononitrile
The XLogP value of 1.86676 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylene}malononitrile. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylene}malononitrile. Following Lipinski's Rule of Five, 2-{[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylene}malononitrile 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 2-{[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylene}malononitrile?
The CAS number of 2-{[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylene}malononitrile is 866038-31-5.
What is the molecular formula of 2-{[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylene}malononitrile?
The molecular formula of 2-{[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylene}malononitrile is C10H6ClN3O.
What is the molecular weight of 2-{[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylene}malononitrile?
The molecular weight of 2-{[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylene}malononitrile is 219.02 g/mol.
Where can I buy 2-{[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylene}malononitrile?
You can request a quote for 2-{[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylene}malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylene}malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylene}malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.