4-Iodophenylacetate
TL;DR: 4-Iodophenylacetate (CAS 33527-94-5) is a chemical compound with molecular formula C8H7IO2 and molecular weight 261.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-iodophenyl) acetate
Also Known As: 4-Iodophenyl acetate, 4-iodophenylacetate, (4-iodophenyl) acetate, 4-acetoxyiodobenzene, p-iodophenyl acetate
| Molecular Formula | C8H7IO2 |
|---|---|
| Molecular Weight | 261.95 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.94907 |
| Heavy Atoms | 11 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 33527-94-5 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)I |
| InChIKey | MXHYFISNECFQHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Iodophenylacetate (CAS 33527-94-5), with molecular formula C8H7IO2 and molecular weight 261.95 g/mol. IUPAC: (4-iodophenyl) acetate.
Chemical Property Profile of 4-Iodophenylacetate
Property Insights of 4-Iodophenylacetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Iodophenylacetate. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Iodophenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Iodophenylacetate 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-Iodophenylacetate?
The CAS number of 4-Iodophenylacetate is 33527-94-5.
What is the molecular formula of 4-Iodophenylacetate?
The molecular formula of 4-Iodophenylacetate is C8H7IO2.
What is the molecular weight of 4-Iodophenylacetate?
The molecular weight of 4-Iodophenylacetate is 261.95 g/mol.
Where can I buy 4-Iodophenylacetate?
You can request a quote for 4-Iodophenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Iodophenylacetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Iodophenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.