3,3-Dichloro-2-propenal
TL;DR: 3,3-Dichloro-2-propenal (CAS 2648-51-3) is a chemical compound with molecular formula C3H2Cl2O and molecular weight 123.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dichloroprop-2-enal
Also Known As: 3,3-Dichloroacrolein, 3,3-dichloroprop-2-enal, 2-propenal, 3,3-dichloro-, 3,3-Dichloropropenal, 3,3-Dichloro-2-propenal
| Molecular Formula | C3H2Cl2O |
|---|---|
| Molecular Weight | 123.95 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 123.94827 |
| Heavy Atoms | 6 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 2648-51-3 |
|---|---|
| SMILES | C(=C(Cl)Cl)C=O |
| InChIKey | YCOYDSQEOWWYDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Dichloro-2-propenal (CAS 2648-51-3), with molecular formula C3H2Cl2O and molecular weight 123.95 g/mol. IUPAC: 3,3-dichloroprop-2-enal.
Chemical Property Profile of 3,3-Dichloro-2-propenal
Property Insights of 3,3-Dichloro-2-propenal
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dichloro-2-propenal. With a topological polar surface area (TPSA) of 17.1 Ų, 3,3-Dichloro-2-propenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dichloro-2-propenal 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 3,3-Dichloro-2-propenal?
The CAS number of 3,3-Dichloro-2-propenal is 2648-51-3.
What is the molecular formula of 3,3-Dichloro-2-propenal?
The molecular formula of 3,3-Dichloro-2-propenal is C3H2Cl2O.
What is the molecular weight of 3,3-Dichloro-2-propenal?
The molecular weight of 3,3-Dichloro-2-propenal is 123.95 g/mol.
Where can I buy 3,3-Dichloro-2-propenal?
You can request a quote for 3,3-Dichloro-2-propenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dichloro-2-propenal?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dichloro-2-propenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.