2,2,2-Trichloroethyl dodecanoate
TL;DR: 2,2,2-Trichloroethyl dodecanoate (CAS 71071-51-7) is a chemical compound with molecular formula C14H25Cl3O2 and molecular weight 330.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloroethyl dodecanoate
Also Known As: 2,2,2-Trichloroethyl dodecanoate, 2,2,2-TRICHLOROETHYL LAURATE, 2,2,2-TRICHLOROETHYLLAURATE, Lauric acid 2,2,2-trichloroethyl ester, Dodecanoic acid 2,2,2-trichloroethyl ester
| Molecular Formula | C14H25Cl3O2 |
|---|---|
| Molecular Weight | 330.09 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 330.092 |
| Heavy Atoms | 19 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 71071-51-7 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)OCC(Cl)(Cl)Cl |
| InChIKey | DZEDAIOKGLWUJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,2-Trichloroethyl dodecanoate (CAS 71071-51-7), with molecular formula C14H25Cl3O2 and molecular weight 330.09 g/mol. IUPAC: 2,2,2-trichloroethyl dodecanoate.
Chemical Property Profile of 2,2,2-Trichloroethyl dodecanoate
Property Insights of 2,2,2-Trichloroethyl dodecanoate
The XLogP value of 7.1 indicates that 2,2,2-Trichloroethyl dodecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,2,2-Trichloroethyl dodecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trichloroethyl dodecanoate 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 2,2,2-Trichloroethyl dodecanoate?
The CAS number of 2,2,2-Trichloroethyl dodecanoate is 71071-51-7.
What is the molecular formula of 2,2,2-Trichloroethyl dodecanoate?
The molecular formula of 2,2,2-Trichloroethyl dodecanoate is C14H25Cl3O2.
What is the molecular weight of 2,2,2-Trichloroethyl dodecanoate?
The molecular weight of 2,2,2-Trichloroethyl dodecanoate is 330.09 g/mol.
Where can I buy 2,2,2-Trichloroethyl dodecanoate?
You can request a quote for 2,2,2-Trichloroethyl dodecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trichloroethyl dodecanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trichloroethyl dodecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.