5,5,5-Trichloropent-2-en-1-yl trichloroacetate
TL;DR: 5,5,5-Trichloropent-2-en-1-yl trichloroacetate (CAS 90048-16-1) is a chemical compound with molecular formula C7H6Cl6O2 and molecular weight 331.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5,5-trichloropent-2-enyl 2,2,2-trichloroacetate
Also Known As: 5,5,5-trichloropent-2-en-1-yl trichloroacetate, 5,5,5-trichloropent-2-enyl 2,2,2-trichloroacetate, Acetamide,2,2,2-trichloro-N-[4-(trifluoromethyl)phenyl], Trichloressigsaeure-(5,5,5-trichlor-pent-2-enylester)
| Molecular Formula | C7H6Cl6O2 |
|---|---|
| Molecular Weight | 331.85 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.84988 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 90048-16-1 |
|---|---|
| SMILES | C(C=CCOC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl |
| InChIKey | GXVCMEYBSADBEA-UHFFFAOYSA-N |
Product Overview
5,5,5-Trichloropent-2-en-1-yl trichloroacetate (CAS 90048-16-1), with molecular formula C7H6Cl6O2 and molecular weight 331.85 g/mol. IUPAC: 5,5,5-trichloropent-2-enyl 2,2,2-trichloroacetate.
Chemical Property Profile of 5,5,5-Trichloropent-2-en-1-yl trichloroacetate
Property Insights of 5,5,5-Trichloropent-2-en-1-yl trichloroacetate
The XLogP value of 4.6 indicates that 5,5,5-Trichloropent-2-en-1-yl 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, 5,5,5-Trichloropent-2-en-1-yl trichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5,5-Trichloropent-2-en-1-yl 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 5,5,5-Trichloropent-2-en-1-yl trichloroacetate?
The CAS number of 5,5,5-Trichloropent-2-en-1-yl trichloroacetate is 90048-16-1.
What is the molecular formula of 5,5,5-Trichloropent-2-en-1-yl trichloroacetate?
The molecular formula of 5,5,5-Trichloropent-2-en-1-yl trichloroacetate is C7H6Cl6O2.
What is the molecular weight of 5,5,5-Trichloropent-2-en-1-yl trichloroacetate?
The molecular weight of 5,5,5-Trichloropent-2-en-1-yl trichloroacetate is 331.85 g/mol.
Where can I buy 5,5,5-Trichloropent-2-en-1-yl trichloroacetate?
You can request a quote for 5,5,5-Trichloropent-2-en-1-yl trichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5,5-Trichloropent-2-en-1-yl trichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for 5,5,5-Trichloropent-2-en-1-yl trichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.