Undecyl chloroacetate
TL;DR: Undecyl chloroacetate (CAS 6317-54-0) is a chemical compound with molecular formula C13H25ClO2 and molecular weight 248.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
undecyl 2-chloroacetate
Also Known As: Undecyl chloroacetate, n-Hendecylchloracetat, undecyl 2-chloroacetate, Undecyl chloroacetate #, Chloroacetic acid, undecyl ester
| Molecular Formula | C13H25ClO2 |
|---|---|
| Molecular Weight | 248.15 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 248.15431 |
| Heavy Atoms | 16 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 6317-54-0 |
|---|---|
| SMILES | CCCCCCCCCCCOC(=O)CCl |
| InChIKey | TUVDFKPEKORZQI-UHFFFAOYSA-N |
Product Overview
Undecyl chloroacetate (CAS 6317-54-0), with molecular formula C13H25ClO2 and molecular weight 248.15 g/mol. IUPAC: undecyl 2-chloroacetate.
Chemical Property Profile of Undecyl chloroacetate
Property Insights of Undecyl chloroacetate
The XLogP value of 5.7 indicates that Undecyl 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, Undecyl chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Undecyl chloroacetate 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 Undecyl chloroacetate?
The CAS number of Undecyl chloroacetate is 6317-54-0.
What is the molecular formula of Undecyl chloroacetate?
The molecular formula of Undecyl chloroacetate is C13H25ClO2.
What is the molecular weight of Undecyl chloroacetate?
The molecular weight of Undecyl chloroacetate is 248.15 g/mol.
Where can I buy Undecyl chloroacetate?
You can request a quote for Undecyl chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Undecyl chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Undecyl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.