Nonyl chloroacetate
TL;DR: Nonyl chloroacetate (CAS 6045-28-9) is a chemical compound with molecular formula C11H21ClO2 and molecular weight 220.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
nonyl 2-chloroacetate
Also Known As: Nonyl chloroacetate, nonyl 2-chloroacetate, Nonyl chloroacetate #, Chloroacetic acid, nonyl ester, Acetic acid,2-chloro-,nonyl ester
| Molecular Formula | C11H21ClO2 |
|---|---|
| Molecular Weight | 220.12 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 220.123 |
| Heavy Atoms | 14 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 6045-28-9 |
|---|---|
| SMILES | CCCCCCCCCOC(=O)CCl |
| InChIKey | OKWGMWNSHCOYJE-UHFFFAOYSA-N |
Product Overview
Nonyl chloroacetate (CAS 6045-28-9), with molecular formula C11H21ClO2 and molecular weight 220.12 g/mol. IUPAC: nonyl 2-chloroacetate.
Chemical Property Profile of Nonyl chloroacetate
Property Insights of Nonyl chloroacetate
The XLogP value of 4.6 indicates that Nonyl chloroacetate 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 chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nonyl chloroacetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nonyl chloroacetate?
The CAS number of Nonyl chloroacetate is 6045-28-9.
What is the molecular formula of Nonyl chloroacetate?
The molecular formula of Nonyl chloroacetate is C11H21ClO2.
What is the molecular weight of Nonyl chloroacetate?
The molecular weight of Nonyl chloroacetate is 220.12 g/mol.
Where can I buy Nonyl chloroacetate?
You can request a quote for Nonyl chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nonyl chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Nonyl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.