Decyl iodoacetate
TL;DR: Decyl iodoacetate (CAS 80935-00-8) is a chemical compound with molecular formula C12H23IO2 and molecular weight 326.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decyl 2-iodoacetate
Also Known As: Decyl iodoacetate, decyl 2-iodoacetate, RefChem:336775
| Molecular Formula | C12H23IO2 |
|---|---|
| Molecular Weight | 326.07 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 326.07428 |
| Heavy Atoms | 15 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 80935-00-8 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)CI |
| InChIKey | AGVSPEVKOGZSKF-UHFFFAOYSA-N |
Product Overview
Decyl iodoacetate (CAS 80935-00-8), with molecular formula C12H23IO2 and molecular weight 326.07 g/mol. IUPAC: decyl 2-iodoacetate.
Chemical Property Profile of Decyl iodoacetate
Property Insights of Decyl iodoacetate
The XLogP value of 5.2 indicates that Decyl iodoacetate 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 iodoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decyl iodoacetate 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 iodoacetate?
The CAS number of Decyl iodoacetate is 80935-00-8.
What is the molecular formula of Decyl iodoacetate?
The molecular formula of Decyl iodoacetate is C12H23IO2.
What is the molecular weight of Decyl iodoacetate?
The molecular weight of Decyl iodoacetate is 326.07 g/mol.
Where can I buy Decyl iodoacetate?
You can request a quote for Decyl iodoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decyl iodoacetate?
Yes, KEHONG BIO provides custom synthesis services for Decyl iodoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.