Dodecyl dichloroacetate
TL;DR: Dodecyl dichloroacetate (CAS 83005-01-0) is a chemical compound with molecular formula C14H26Cl2O2 and molecular weight 296.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl 2,2-dichloroacetate
Also Known As: Dodecyl dichloroacetate, dodecyl 2,2-dichloroacetate, Dodecyl dichloroacetate #, Dichloroacetic acid, dodecyl ester, Dichloroacetic acid,dodecyl ester
| Molecular Formula | C14H26Cl2O2 |
|---|---|
| Molecular Weight | 296.13 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 296.13098 |
| Heavy Atoms | 18 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 83005-01-0 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)C(Cl)Cl |
| InChIKey | XOWWGPRKFWEEDR-UHFFFAOYSA-N |
Product Overview
Dodecyl dichloroacetate (CAS 83005-01-0), with molecular formula C14H26Cl2O2 and molecular weight 296.13 g/mol. IUPAC: dodecyl 2,2-dichloroacetate.
Chemical Property Profile of Dodecyl dichloroacetate
Property Insights of Dodecyl dichloroacetate
The XLogP value of 6.9 indicates that Dodecyl dichloroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Dodecyl dichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dodecyl dichloroacetate 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 Dodecyl dichloroacetate?
The CAS number of Dodecyl dichloroacetate is 83005-01-0.
What is the molecular formula of Dodecyl dichloroacetate?
The molecular formula of Dodecyl dichloroacetate is C14H26Cl2O2.
What is the molecular weight of Dodecyl dichloroacetate?
The molecular weight of Dodecyl dichloroacetate is 296.13 g/mol.
Where can I buy Dodecyl dichloroacetate?
You can request a quote for Dodecyl dichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodecyl dichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Dodecyl dichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.