1-(2,4-dichlorobenzyl)-1H-pyrrole-2-carbaldehyde
TL;DR: 1-(2,4-dichlorobenzyl)-1H-pyrrole-2-carbaldehyde (CAS 77960-29-3) is a chemical compound with molecular formula C12H9Cl2NO and molecular weight 253.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2,4-dichlorophenyl)methyl]pyrrole-2-carbaldehyde
Also Known As: 1-(2,4-dichlorobenzyl)-1H-pyrrole-2-carbaldehyde, 1-[(2,4-dichlorophenyl)methyl]pyrrole-2-carbaldehyde, 1-[(2,4-dichlorophenyl)methyl]-1H-pyrrole-2-carbaldehyde, 2-Benzyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
| Molecular Formula | C12H9Cl2NO |
|---|---|
| Molecular Weight | 253.01 g/mol |
| LogP | 3.6557 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.00612 |
| Heavy Atoms | 16 |
| Complexity | 519.48737 |
Chemical Identifiers
| CAS Number | 77960-29-3 |
|---|---|
| SMILES | C1=CN(C(=C1)C=O)CC2=C(C=C(C=C2)Cl)Cl |
Product Overview
1-(2,4-dichlorobenzyl)-1H-pyrrole-2-carbaldehyde (CAS 77960-29-3), with molecular formula C12H9Cl2NO and molecular weight 253.01 g/mol. IUPAC: 1-[(2,4-dichlorophenyl)methyl]pyrrole-2-carbaldehyde.
Chemical Property Profile of 1-(2,4-dichlorobenzyl)-1H-pyrrole-2-carbaldehyde
Property Insights of 1-(2,4-dichlorobenzyl)-1H-pyrrole-2-carbaldehyde
The XLogP value of 3.6557 indicates that 1-(2,4-dichlorobenzyl)-1H-pyrrole-2-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.0 Ų, 1-(2,4-dichlorobenzyl)-1H-pyrrole-2-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,4-dichlorobenzyl)-1H-pyrrole-2-carbaldehyde has 0 hydrogen bond donor(s) and 1 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 1-(2,4-dichlorobenzyl)-1H-pyrrole-2-carbaldehyde?
The CAS number of 1-(2,4-dichlorobenzyl)-1H-pyrrole-2-carbaldehyde is 77960-29-3.
What is the molecular formula of 1-(2,4-dichlorobenzyl)-1H-pyrrole-2-carbaldehyde?
The molecular formula of 1-(2,4-dichlorobenzyl)-1H-pyrrole-2-carbaldehyde is C12H9Cl2NO.
What is the molecular weight of 1-(2,4-dichlorobenzyl)-1H-pyrrole-2-carbaldehyde?
The molecular weight of 1-(2,4-dichlorobenzyl)-1H-pyrrole-2-carbaldehyde is 253.01 g/mol.
Where can I buy 1-(2,4-dichlorobenzyl)-1H-pyrrole-2-carbaldehyde?
You can request a quote for 1-(2,4-dichlorobenzyl)-1H-pyrrole-2-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4-dichlorobenzyl)-1H-pyrrole-2-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-dichlorobenzyl)-1H-pyrrole-2-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.