2,3,3-Trichloropropenal
TL;DR: 2,3,3-Trichloropropenal (CAS 3787-28-8) is a chemical compound with molecular formula C3HCl3O and molecular weight 157.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,3-trichloroprop-2-enal
Also Known As: 2,3,3-Trichloropropenal, 2,3,3-Trichloroacrolein, 2,3,3-trichloroprop-2-enal, 2,3,3-Trichloro-2-propenal, 2-Propenal, 2,3,3-trichloro-
| Molecular Formula | C3HCl3O |
|---|---|
| Molecular Weight | 157.91 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.9093 |
| Heavy Atoms | 7 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 3787-28-8 |
|---|---|
| SMILES | C(=O)C(=C(Cl)Cl)Cl |
| InChIKey | ZLWJEEVJKLGSRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,3-Trichloropropenal (CAS 3787-28-8), with molecular formula C3HCl3O and molecular weight 157.91 g/mol. IUPAC: 2,3,3-trichloroprop-2-enal.
Chemical Property Profile of 2,3,3-Trichloropropenal
Property Insights of 2,3,3-Trichloropropenal
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,3-Trichloropropenal. With a topological polar surface area (TPSA) of 17.1 Ų, 2,3,3-Trichloropropenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,3-Trichloropropenal 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 2,3,3-Trichloropropenal?
The CAS number of 2,3,3-Trichloropropenal is 3787-28-8.
What is the molecular formula of 2,3,3-Trichloropropenal?
The molecular formula of 2,3,3-Trichloropropenal is C3HCl3O.
What is the molecular weight of 2,3,3-Trichloropropenal?
The molecular weight of 2,3,3-Trichloropropenal is 157.91 g/mol.
Where can I buy 2,3,3-Trichloropropenal?
You can request a quote for 2,3,3-Trichloropropenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,3-Trichloropropenal?
Yes, KEHONG BIO provides custom synthesis services for 2,3,3-Trichloropropenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.