Methyl trichloropropenoate
TL;DR: Methyl trichloropropenoate (CAS 17640-12-9) is a chemical compound with molecular formula C4H3Cl3O2 and molecular weight 187.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,3,3-trichloroprop-2-enoate
Also Known As: Methyl trichloropropenoate, methyl trichloroacrylate, methyl trichloro-propenoate, Methyl 2,3,3-trichloroacrylate, methyl 2,3,3-trichloroprop-2-enoate
| Molecular Formula | C4H3Cl3O2 |
|---|---|
| Molecular Weight | 187.92 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.91986 |
| Heavy Atoms | 9 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 17640-12-9 |
|---|---|
| SMILES | COC(=O)C(=C(Cl)Cl)Cl |
| InChIKey | LUAABZPMDXDUBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl trichloropropenoate (CAS 17640-12-9), with molecular formula C4H3Cl3O2 and molecular weight 187.92 g/mol. IUPAC: methyl 2,3,3-trichloroprop-2-enoate.
Chemical Property Profile of Methyl trichloropropenoate
Property Insights of Methyl trichloropropenoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl trichloropropenoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl trichloropropenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl trichloropropenoate has 0 hydrogen bond donor(s) and 2 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 Methyl trichloropropenoate?
The CAS number of Methyl trichloropropenoate is 17640-12-9.
What is the molecular formula of Methyl trichloropropenoate?
The molecular formula of Methyl trichloropropenoate is C4H3Cl3O2.
What is the molecular weight of Methyl trichloropropenoate?
The molecular weight of Methyl trichloropropenoate is 187.92 g/mol.
Where can I buy Methyl trichloropropenoate?
You can request a quote for Methyl trichloropropenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl trichloropropenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl trichloropropenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.