Pentyl trichloroacetate
TL;DR: Pentyl trichloroacetate (CAS 33972-81-5) is a chemical compound with molecular formula C7H11Cl3O2 and molecular weight 231.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2,2,2-trichloroacetate
Also Known As: Pentyl trichloroacetate, pentyl 2,2,2-trichloroacetate, Pentyl trichloroacetate #, Trichloroacetic acid, pentyl ester, Acetic acid, trichloro-, pentyl ester
| Molecular Formula | C7H11Cl3O2 |
|---|---|
| Molecular Weight | 231.98 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.98247 |
| Heavy Atoms | 12 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 33972-81-5 |
|---|---|
| SMILES | CCCCCOC(=O)C(Cl)(Cl)Cl |
| InChIKey | LZJOVWVTJGLPFN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentyl trichloroacetate (CAS 33972-81-5), with molecular formula C7H11Cl3O2 and molecular weight 231.98 g/mol. IUPAC: pentyl 2,2,2-trichloroacetate.
Chemical Property Profile of Pentyl trichloroacetate
Property Insights of Pentyl trichloroacetate
The XLogP value of 3.8 indicates that Pentyl trichloroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Pentyl trichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl 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 Pentyl trichloroacetate?
The CAS number of Pentyl trichloroacetate is 33972-81-5.
What is the molecular formula of Pentyl trichloroacetate?
The molecular formula of Pentyl trichloroacetate is C7H11Cl3O2.
What is the molecular weight of Pentyl trichloroacetate?
The molecular weight of Pentyl trichloroacetate is 231.98 g/mol.
Where can I buy Pentyl trichloroacetate?
You can request a quote for Pentyl trichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl trichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl trichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.