Propyl iodoacetate
TL;DR: Propyl iodoacetate (CAS 83004-93-7) is a chemical compound with molecular formula C5H9IO2 and molecular weight 227.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-iodoacetate
Also Known As: Propyl iodoacetate, propyl 2-iodoacetate, Iodoacetic acid propyl ester, iodo-acetic acid propyl ester, Acetic acid, iodo-, propyl ester
| Molecular Formula | C5H9IO2 |
|---|---|
| Molecular Weight | 227.96 g/mol |
| LogP | 1.3746 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.96474 |
| Heavy Atoms | 8 |
| Complexity | 72.82892 |
Chemical Identifiers
| CAS Number | 83004-93-7 |
|---|---|
| SMILES | CCCOC(=O)CI |
Product Overview
Propyl iodoacetate (CAS 83004-93-7), with molecular formula C5H9IO2 and molecular weight 227.96 g/mol. IUPAC: propyl 2-iodoacetate.
Chemical Property Profile of Propyl iodoacetate
Property Insights of Propyl iodoacetate
The XLogP value of 1.3746 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl iodoacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Propyl iodoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 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 Propyl iodoacetate?
The CAS number of Propyl iodoacetate is 83004-93-7.
What is the molecular formula of Propyl iodoacetate?
The molecular formula of Propyl iodoacetate is C5H9IO2.
What is the molecular weight of Propyl iodoacetate?
The molecular weight of Propyl iodoacetate is 227.96 g/mol.
Where can I buy Propyl iodoacetate?
You can request a quote for Propyl iodoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl iodoacetate?
Yes, KEHONG BIO provides custom synthesis services for Propyl iodoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.