3-(2,3-Dichlorophenyl)acrylaldehyde
TL;DR: 3-(2,3-Dichlorophenyl)acrylaldehyde (CAS 78444-18-5) is a chemical compound with molecular formula C9H6Cl2O and molecular weight 199.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,3-dichlorophenyl)prop-2-enal
Also Known As: 2,3-DICHLOROCINNAMALDEHYDE, 3-(2,3-Dichlorophenyl)acrylaldehyde, 2-Propenal,3-(2,3-dichlorophenyl)-, (2E)-
| Molecular Formula | C9H6Cl2O |
|---|---|
| Molecular Weight | 199.98 g/mol |
| LogP | 3.2055 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.97957 |
| Heavy Atoms | 12 |
| Complexity | 318.30463 |
Chemical Identifiers
| CAS Number | 78444-18-5 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)Cl)C=CC=O |
Product Overview
3-(2,3-Dichlorophenyl)acrylaldehyde (CAS 78444-18-5), with molecular formula C9H6Cl2O and molecular weight 199.98 g/mol. IUPAC: 3-(2,3-dichlorophenyl)prop-2-enal.
Chemical Property Profile of 3-(2,3-Dichlorophenyl)acrylaldehyde
Property Insights of 3-(2,3-Dichlorophenyl)acrylaldehyde
The XLogP value of 3.2055 indicates that 3-(2,3-Dichlorophenyl)acrylaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 3-(2,3-Dichlorophenyl)acrylaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,3-Dichlorophenyl)acrylaldehyde 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 3-(2,3-Dichlorophenyl)acrylaldehyde?
The CAS number of 3-(2,3-Dichlorophenyl)acrylaldehyde is 78444-18-5.
What is the molecular formula of 3-(2,3-Dichlorophenyl)acrylaldehyde?
The molecular formula of 3-(2,3-Dichlorophenyl)acrylaldehyde is C9H6Cl2O.
What is the molecular weight of 3-(2,3-Dichlorophenyl)acrylaldehyde?
The molecular weight of 3-(2,3-Dichlorophenyl)acrylaldehyde is 199.98 g/mol.
Where can I buy 3-(2,3-Dichlorophenyl)acrylaldehyde?
You can request a quote for 3-(2,3-Dichlorophenyl)acrylaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,3-Dichlorophenyl)acrylaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,3-Dichlorophenyl)acrylaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.