Decyl trichloroacetate
TL;DR: Decyl trichloroacetate (CAS 65611-33-8) is a chemical compound with molecular formula C12H21Cl3O2 and molecular weight 302.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decyl 2,2,2-trichloroacetate
Also Known As: Decyl trichloroacetate, n-decyltrichloroacetate, decyl 2,2,2-trichloroacetate, n-decyl trichloroacetate, Decyl trichloroacetate #
| Molecular Formula | C12H21Cl3O2 |
|---|---|
| Molecular Weight | 302.06 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 302.0607 |
| Heavy Atoms | 17 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 65611-33-8 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C(Cl)(Cl)Cl |
| InChIKey | JVOWHDCGJSEUMO-UHFFFAOYSA-N |
Product Overview
Decyl trichloroacetate (CAS 65611-33-8), with molecular formula C12H21Cl3O2 and molecular weight 302.06 g/mol. IUPAC: decyl 2,2,2-trichloroacetate.
Chemical Property Profile of Decyl trichloroacetate
Property Insights of Decyl trichloroacetate
The XLogP value of 6.4 indicates that Decyl 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, Decyl trichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decyl trichloroacetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Decyl trichloroacetate?
The CAS number of Decyl trichloroacetate is 65611-33-8.
What is the molecular formula of Decyl trichloroacetate?
The molecular formula of Decyl trichloroacetate is C12H21Cl3O2.
What is the molecular weight of Decyl trichloroacetate?
The molecular weight of Decyl trichloroacetate is 302.06 g/mol.
Where can I buy Decyl trichloroacetate?
You can request a quote for Decyl trichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decyl trichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Decyl trichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.