4-Chloro-2-(chlorophenylmethylene)butyraldehyde
TL;DR: 4-Chloro-2-(chlorophenylmethylene)butyraldehyde (CAS 22080-93-9) is a chemical compound with molecular formula C11H10Cl2O and molecular weight 228.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-[chloro(phenyl)methylidene]butanal
Also Known As: 4-chloro-2-[chloro(phenyl)methylidene]butanal, 4-Chloro-2-(chlorophenylmethylene)butyraldehyde, EINECS 244-769-2
| Molecular Formula | C11H10Cl2O |
|---|---|
| Molecular Weight | 228.01 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.01086 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 22080-93-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=C(CCCl)C=O)Cl |
| InChIKey | XFAWAGDMIKYIIK-UHFFFAOYSA-N |
Product Overview
4-Chloro-2-(chlorophenylmethylene)butyraldehyde (CAS 22080-93-9), with molecular formula C11H10Cl2O and molecular weight 228.01 g/mol. IUPAC: 4-chloro-2-[chloro(phenyl)methylidene]butanal.
Chemical Property Profile of 4-Chloro-2-(chlorophenylmethylene)butyraldehyde
Property Insights of 4-Chloro-2-(chlorophenylmethylene)butyraldehyde
The XLogP value of 3.1 indicates that 4-Chloro-2-(chlorophenylmethylene)butyraldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Chloro-2-(chlorophenylmethylene)butyraldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-(chlorophenylmethylene)butyraldehyde 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 4-Chloro-2-(chlorophenylmethylene)butyraldehyde?
The CAS number of 4-Chloro-2-(chlorophenylmethylene)butyraldehyde is 22080-93-9.
What is the molecular formula of 4-Chloro-2-(chlorophenylmethylene)butyraldehyde?
The molecular formula of 4-Chloro-2-(chlorophenylmethylene)butyraldehyde is C11H10Cl2O.
What is the molecular weight of 4-Chloro-2-(chlorophenylmethylene)butyraldehyde?
The molecular weight of 4-Chloro-2-(chlorophenylmethylene)butyraldehyde is 228.01 g/mol.
Where can I buy 4-Chloro-2-(chlorophenylmethylene)butyraldehyde?
You can request a quote for 4-Chloro-2-(chlorophenylmethylene)butyraldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-(chlorophenylmethylene)butyraldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-(chlorophenylmethylene)butyraldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.