3-Chloroprop-2-enal
TL;DR: 3-Chloroprop-2-enal (CAS 20604-88-0) is a chemical compound with molecular formula C3H3ClO and molecular weight 89.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloroprop-2-enal
Also Known As: 3-Chloroacrolein, 3-chloroprop-2-enal, 3-Chloroallyl aldehyde, 2-Propenal, 3-chloro-, 2-Propenal, 3-chloro-(9CI)
| Molecular Formula | C3H3ClO |
|---|---|
| Molecular Weight | 89.99 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 89.98724 |
| Heavy Atoms | 5 |
| Complexity | 48.0 |
Chemical Identifiers
| CAS Number | 20604-88-0 |
|---|---|
| SMILES | C(=CCl)C=O |
| InChIKey | ZSOPPQGHWJVKJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloroprop-2-enal (CAS 20604-88-0), with molecular formula C3H3ClO and molecular weight 89.99 g/mol. IUPAC: 3-chloroprop-2-enal.
Chemical Property Profile of 3-Chloroprop-2-enal
Property Insights of 3-Chloroprop-2-enal
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloroprop-2-enal. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Chloroprop-2-enal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloroprop-2-enal 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-Chloroprop-2-enal?
The CAS number of 3-Chloroprop-2-enal is 20604-88-0.
What is the molecular formula of 3-Chloroprop-2-enal?
The molecular formula of 3-Chloroprop-2-enal is C3H3ClO.
What is the molecular weight of 3-Chloroprop-2-enal?
The molecular weight of 3-Chloroprop-2-enal is 89.99 g/mol.
Where can I buy 3-Chloroprop-2-enal?
You can request a quote for 3-Chloroprop-2-enal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloroprop-2-enal?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloroprop-2-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.