![2-benzoyl-3-[4-(2-chloroacetyl)-1H-pyrrol-2-yl]prop-2-enenitrile structure](/static/products/866/866038-40-6.png)
2-benzoyl-3-[4-(2-chloroacetyl)-1H-pyrrol-2-yl]prop-2-enenitrile
TL;DR: 2-benzoyl-3-[4-(2-chloroacetyl)-1H-pyrrol-2-yl]prop-2-enenitrile (CAS 866038-40-6) is a chemical compound with molecular formula C16H11ClN2O2 and molecular weight 298.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyl-3-[4-(2-chloroacetyl)-1H-pyrrol-2-yl]prop-2-enenitrile
Also Known As: 2-benzoyl-3-[4-(2-chloroacetyl)-1H-pyrrol-2-yl]prop-2-enenitrile, (E)-2-benzoyl-3-[4-(2-chloroacetyl)-1H-pyrrol-2-yl]-2-propenenitrile
| Molecular Formula | C16H11ClN2O2 |
|---|---|
| Molecular Weight | 298.05 g/mol |
| LogP | 3.22608 |
| Topological Polar Surface Area | 73.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.0509 |
| Heavy Atoms | 21 |
| Complexity | 739.1375 |
Chemical Identifiers
| CAS Number | 866038-40-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(=CC2=CC(=CN2)C(=O)CCl)C#N |
Product Overview
2-benzoyl-3-[4-(2-chloroacetyl)-1H-pyrrol-2-yl]prop-2-enenitrile (CAS 866038-40-6), with molecular formula C16H11ClN2O2 and molecular weight 298.05 g/mol. IUPAC: 2-benzoyl-3-[4-(2-chloroacetyl)-1H-pyrrol-2-yl]prop-2-enenitrile.
Chemical Property Profile of 2-benzoyl-3-[4-(2-chloroacetyl)-1H-pyrrol-2-yl]prop-2-enenitrile
Property Insights of 2-benzoyl-3-[4-(2-chloroacetyl)-1H-pyrrol-2-yl]prop-2-enenitrile
The XLogP value of 3.22608 indicates that 2-benzoyl-3-[4-(2-chloroacetyl)-1H-pyrrol-2-yl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-benzoyl-3-[4-(2-chloroacetyl)-1H-pyrrol-2-yl]prop-2-enenitrile. Following Lipinski's Rule of Five, 2-benzoyl-3-[4-(2-chloroacetyl)-1H-pyrrol-2-yl]prop-2-enenitrile 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-benzoyl-3-[4-(2-chloroacetyl)-1H-pyrrol-2-yl]prop-2-enenitrile?
The CAS number of 2-benzoyl-3-[4-(2-chloroacetyl)-1H-pyrrol-2-yl]prop-2-enenitrile is 866038-40-6.
What is the molecular formula of 2-benzoyl-3-[4-(2-chloroacetyl)-1H-pyrrol-2-yl]prop-2-enenitrile?
The molecular formula of 2-benzoyl-3-[4-(2-chloroacetyl)-1H-pyrrol-2-yl]prop-2-enenitrile is C16H11ClN2O2.
What is the molecular weight of 2-benzoyl-3-[4-(2-chloroacetyl)-1H-pyrrol-2-yl]prop-2-enenitrile?
The molecular weight of 2-benzoyl-3-[4-(2-chloroacetyl)-1H-pyrrol-2-yl]prop-2-enenitrile is 298.05 g/mol.
Where can I buy 2-benzoyl-3-[4-(2-chloroacetyl)-1H-pyrrol-2-yl]prop-2-enenitrile?
You can request a quote for 2-benzoyl-3-[4-(2-chloroacetyl)-1H-pyrrol-2-yl]prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-benzoyl-3-[4-(2-chloroacetyl)-1H-pyrrol-2-yl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-benzoyl-3-[4-(2-chloroacetyl)-1H-pyrrol-2-yl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.