Nonyl dichloroacetate
TL;DR: Nonyl dichloroacetate (CAS 83004-99-3) is a chemical compound with molecular formula C11H20Cl2O2 and molecular weight 254.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
nonyl 2,2-dichloroacetate
Also Known As: Nonyl dichloroacetate, nonyl 2,2-dichloroacetate, Nonyl dichloroacetate #, Dichloroacetic acid, nonyl ester, Acetic acid, dichloro-, nonyl ester
| Molecular Formula | C11H20Cl2O2 |
|---|---|
| Molecular Weight | 254.08 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 254.08403 |
| Heavy Atoms | 15 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 83004-99-3 |
|---|---|
| SMILES | CCCCCCCCCOC(=O)C(Cl)Cl |
| InChIKey | XKMMRMJBZDCIHI-UHFFFAOYSA-N |
Product Overview
Nonyl dichloroacetate (CAS 83004-99-3), with molecular formula C11H20Cl2O2 and molecular weight 254.08 g/mol. IUPAC: nonyl 2,2-dichloroacetate.
Chemical Property Profile of Nonyl dichloroacetate
Property Insights of Nonyl dichloroacetate
The XLogP value of 5.3 indicates that Nonyl 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, Nonyl dichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nonyl 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 Nonyl dichloroacetate?
The CAS number of Nonyl dichloroacetate is 83004-99-3.
What is the molecular formula of Nonyl dichloroacetate?
The molecular formula of Nonyl dichloroacetate is C11H20Cl2O2.
What is the molecular weight of Nonyl dichloroacetate?
The molecular weight of Nonyl dichloroacetate is 254.08 g/mol.
Where can I buy Nonyl dichloroacetate?
You can request a quote for Nonyl dichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nonyl dichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Nonyl dichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.