Hexyl iodoacetate
TL;DR: Hexyl iodoacetate (CAS 6298-15-3) is a chemical compound with molecular formula C8H15IO2 and molecular weight 270.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 2-iodoacetate
Also Known As: Hexyl iodoacetate, hexyl 2-iodoacetate, Hexyl 3,4,5-trihydroxybenzamide, Acetic acid, 2-iodo-,hexyl ester, N-hexyl-3,4,5-trihydroxy-benzamide
| Molecular Formula | C8H15IO2 |
|---|---|
| Molecular Weight | 270.01 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 270.0117 |
| Heavy Atoms | 11 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 6298-15-3 |
|---|---|
| SMILES | CCCCCCOC(=O)CI |
| InChIKey | XJOFYNWBVZSJJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexyl iodoacetate (CAS 6298-15-3), with molecular formula C8H15IO2 and molecular weight 270.01 g/mol. IUPAC: hexyl 2-iodoacetate.
Chemical Property Profile of Hexyl iodoacetate
Property Insights of Hexyl iodoacetate
The XLogP value of 3.1 indicates that Hexyl 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, Hexyl iodoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl iodoacetate 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 Hexyl iodoacetate?
The CAS number of Hexyl iodoacetate is 6298-15-3.
What is the molecular formula of Hexyl iodoacetate?
The molecular formula of Hexyl iodoacetate is C8H15IO2.
What is the molecular weight of Hexyl iodoacetate?
The molecular weight of Hexyl iodoacetate is 270.01 g/mol.
Where can I buy Hexyl iodoacetate?
You can request a quote for Hexyl iodoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl iodoacetate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl iodoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.