4-(2-chloroacetyl)-1H-pyrrole-2-carbaldehyde
TL;DR: 4-(2-chloroacetyl)-1H-pyrrole-2-carbaldehyde (CAS 115027-23-1) is a chemical compound with molecular formula C7H6ClNO2 and molecular weight 171.00871 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-chloroacetyl)-1H-pyrrole-2-carbaldehyde
Also Known As: 4-(2-chloroacetyl)-1H-pyrrole-2-carbaldehyde, chloroacetylpyrrolecarbaldehyde, 4-Bromo-3-fluorobenzoyl chloride, 9534AC, 1-(2-Formylpyrrol-4-yl)-2-chloroethanone
Technical Specifications
| Molecular Formula | C7H6ClNO2 |
| Molecular Weight | 171.00871 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 49.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.00871 Da |
| Heavy Atoms | 11 |
| Complexity | 172.0 |
| SMILES | C1=C(NC=C1C(=O)CCl)C=O |
| InChIKey | WDVCSBMHJIMXIP-UHFFFAOYSA-N |
Chemical Property Profile of 4-(2-chloroacetyl)-1H-pyrrole-2-carbaldehyde
Property Insights of 4-(2-chloroacetyl)-1H-pyrrole-2-carbaldehyde
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-chloroacetyl)-1H-pyrrole-2-carbaldehyde. With a topological polar surface area (TPSA) of 49.9 Ų, 4-(2-chloroacetyl)-1H-pyrrole-2-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-chloroacetyl)-1H-pyrrole-2-carbaldehyde 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
What is the CAS number of 4-(2-chloroacetyl)-1H-pyrrole-2-carbaldehyde?
The CAS number of 4-(2-chloroacetyl)-1H-pyrrole-2-carbaldehyde is 115027-23-1.
What is the molecular formula of 4-(2-chloroacetyl)-1H-pyrrole-2-carbaldehyde?
The molecular formula of 4-(2-chloroacetyl)-1H-pyrrole-2-carbaldehyde is C7H6ClNO2.
What is the molecular weight of 4-(2-chloroacetyl)-1H-pyrrole-2-carbaldehyde?
The molecular weight of 4-(2-chloroacetyl)-1H-pyrrole-2-carbaldehyde is 171.00871 g/mol.
Where can I buy 4-(2-chloroacetyl)-1H-pyrrole-2-carbaldehyde?
You can request a quote for 4-(2-chloroacetyl)-1H-pyrrole-2-carbaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(2-chloroacetyl)-1H-pyrrole-2-carbaldehyde?
Yes, CoreyChem provides custom synthesis services for 4-(2-chloroacetyl)-1H-pyrrole-2-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.