4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carbonitrile
TL;DR: 4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carbonitrile (CAS 338753-51-8) is a chemical compound with molecular formula C13H8Cl2N2O and molecular weight 278.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,3-dichlorobenzoyl)-1-methylpyrrole-2-carbonitrile
Also Known As: 4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carbonitrile, 4-(2,3-dichlorobenzoyl)-1-methylpyrrole-2-carbonitrile, 4-(2,3-dichlorobenzoyl)-1-methyl-pyrrole-2-carbonitrile
| Molecular Formula | C13H8Cl2N2O |
|---|---|
| Molecular Weight | 278.00 g/mol |
| LogP | 3.43458 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.00137 |
| Heavy Atoms | 18 |
| Complexity | 668.11615 |
Chemical Identifiers
| CAS Number | 338753-51-8 |
|---|---|
| SMILES | CN1C=C(C=C1C#N)C(=O)C2=C(C(=CC=C2)Cl)Cl |
Product Overview
4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carbonitrile (CAS 338753-51-8), with molecular formula C13H8Cl2N2O and molecular weight 278.00 g/mol. IUPAC: 4-(2,3-dichlorobenzoyl)-1-methylpyrrole-2-carbonitrile.
Chemical Property Profile of 4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carbonitrile
Property Insights of 4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carbonitrile
The XLogP value of 3.43458 indicates that 4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.79 Ų, 4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carbonitrile has 0 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 4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carbonitrile?
The CAS number of 4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carbonitrile is 338753-51-8.
What is the molecular formula of 4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carbonitrile?
The molecular formula of 4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carbonitrile is C13H8Cl2N2O.
What is the molecular weight of 4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carbonitrile?
The molecular weight of 4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carbonitrile is 278.00 g/mol.
Where can I buy 4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carbonitrile?
You can request a quote for 4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.