Allyl trichloroacetate
TL;DR: Allyl trichloroacetate (CAS 6304-34-3) is a chemical compound with molecular formula C5H5Cl3O2 and molecular weight 201.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2,2,2-trichloroacetate
Also Known As: Allyl trichloroacetate, Trichloroacetic acid allyl ester, Trichloroacetic acid 2-propenyl ester, Acetic acid, 2-propenyl ester, ACETIC ACID, ALLYL ESTER
| Molecular Formula | C5H5Cl3O2 |
|---|---|
| Molecular Weight | 201.94 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.93552 |
| Heavy Atoms | 10 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 6304-34-3 |
|---|---|
| SMILES | C=CCOC(=O)C(Cl)(Cl)Cl |
| InChIKey | LJQCONXCOYBYIE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl trichloroacetate (CAS 6304-34-3), with molecular formula C5H5Cl3O2 and molecular weight 201.94 g/mol. IUPAC: prop-2-enyl 2,2,2-trichloroacetate.
Chemical Property Profile of Allyl trichloroacetate
Property Insights of Allyl trichloroacetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl trichloroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Allyl trichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl trichloroacetate 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 Allyl trichloroacetate?
The CAS number of Allyl trichloroacetate is 6304-34-3.
What is the molecular formula of Allyl trichloroacetate?
The molecular formula of Allyl trichloroacetate is C5H5Cl3O2.
What is the molecular weight of Allyl trichloroacetate?
The molecular weight of Allyl trichloroacetate is 201.94 g/mol.
Where can I buy Allyl trichloroacetate?
You can request a quote for Allyl trichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl trichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Allyl trichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.