2,3-Dichloro-2-propenal
TL;DR: 2,3-Dichloro-2-propenal (CAS 6695-22-3) 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.
2,3-dichloroprop-2-enal
Also Known As: 2,3-Dichloro-2-propenal, 2,3-dichloroacrolein, (Z)-2,3-Dichloroacrolein, 2-Propenal,2,3-dichloro-, 2-Propenal, 2,3-dichloro-, (Z)-
| 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 | 76.0 |
Chemical Identifiers
| CAS Number | 6695-22-3 |
|---|---|
| SMILES | C(=C(C=O)Cl)Cl |
| InChIKey | GRJXQFMIWNSCPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dichloro-2-propenal (CAS 6695-22-3), with molecular formula C3H2Cl2O and molecular weight 123.95 g/mol. IUPAC: 2,3-dichloroprop-2-enal.
Chemical Property Profile of 2,3-Dichloro-2-propenal
Property Insights of 2,3-Dichloro-2-propenal
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dichloro-2-propenal. With a topological polar surface area (TPSA) of 17.1 Ų, 2,3-Dichloro-2-propenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-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 2,3-Dichloro-2-propenal?
The CAS number of 2,3-Dichloro-2-propenal is 6695-22-3.
What is the molecular formula of 2,3-Dichloro-2-propenal?
The molecular formula of 2,3-Dichloro-2-propenal is C3H2Cl2O.
What is the molecular weight of 2,3-Dichloro-2-propenal?
The molecular weight of 2,3-Dichloro-2-propenal is 123.95 g/mol.
Where can I buy 2,3-Dichloro-2-propenal?
You can request a quote for 2,3-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 2,3-Dichloro-2-propenal?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dichloro-2-propenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.