Decyl dichloroacetate
TL;DR: Decyl dichloroacetate (CAS 83005-00-9) is a chemical compound with molecular formula C12H22Cl2O2 and molecular weight 268.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decyl 2,2-dichloroacetate
Also Known As: Decyl dichloroacetate, decyl 2,2-dichloroacetate, Decyl dichloroacetate #, Dichloroacetic acid, decyl ester, Dichloroacetic acid decyl ester
| Molecular Formula | C12H22Cl2O2 |
|---|---|
| Molecular Weight | 268.10 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 268.09967 |
| Heavy Atoms | 16 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 83005-00-9 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C(Cl)Cl |
| InChIKey | ZMLAQDPXQKQOGC-UHFFFAOYSA-N |
Product Overview
Decyl dichloroacetate (CAS 83005-00-9), with molecular formula C12H22Cl2O2 and molecular weight 268.10 g/mol. IUPAC: decyl 2,2-dichloroacetate.
Chemical Property Profile of Decyl dichloroacetate
Property Insights of Decyl dichloroacetate
The XLogP value of 5.8 indicates that Decyl 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, Decyl dichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decyl 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 Decyl dichloroacetate?
The CAS number of Decyl dichloroacetate is 83005-00-9.
What is the molecular formula of Decyl dichloroacetate?
The molecular formula of Decyl dichloroacetate is C12H22Cl2O2.
What is the molecular weight of Decyl dichloroacetate?
The molecular weight of Decyl dichloroacetate is 268.10 g/mol.
Where can I buy Decyl dichloroacetate?
You can request a quote for Decyl dichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decyl dichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Decyl dichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.