4-Iodobutyl acetate
TL;DR: 4-Iodobutyl acetate (CAS 40596-44-9) is a chemical compound with molecular formula C6H11IO2 and molecular weight 241.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-iodobutyl acetate
Also Known As: 4-Iodobutyl acetate, 4-IODOBUTYLACETATE, 1-Acetoxy-4-iodobutane, 4-acetoxybutyl iodide, 4-iodo-butyl acetate
| Molecular Formula | C6H11IO2 |
|---|---|
| Molecular Weight | 241.98 g/mol |
| LogP | 1.7647 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.98038 |
| Heavy Atoms | 9 |
| Complexity | 83.127045 |
Chemical Identifiers
| CAS Number | 40596-44-9 |
|---|---|
| SMILES | CC(=O)OCCCCI |
Product Overview
4-Iodobutyl acetate (CAS 40596-44-9), with molecular formula C6H11IO2 and molecular weight 241.98 g/mol. IUPAC: 4-iodobutyl acetate.
Chemical Property Profile of 4-Iodobutyl acetate
Property Insights of 4-Iodobutyl acetate
The XLogP value of 1.7647 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Iodobutyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Iodobutyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Iodobutyl acetate 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 4-Iodobutyl acetate?
The CAS number of 4-Iodobutyl acetate is 40596-44-9.
What is the molecular formula of 4-Iodobutyl acetate?
The molecular formula of 4-Iodobutyl acetate is C6H11IO2.
What is the molecular weight of 4-Iodobutyl acetate?
The molecular weight of 4-Iodobutyl acetate is 241.98 g/mol.
Where can I buy 4-Iodobutyl acetate?
You can request a quote for 4-Iodobutyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Iodobutyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Iodobutyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.