Methyl 2-(4-iodophenoxy)acetate
TL;DR: Methyl 2-(4-iodophenoxy)acetate (CAS 81720-18-5) is a chemical compound with molecular formula C9H9IO3 and molecular weight 291.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-iodophenoxy)acetate
Also Known As: methyl 2-(4-iodophenoxy)acetate, methyl (4-iodophenoxy)acetate, methyl2-(4-iodophenoxy)acetate, 4-iodophenoxyacetic acid methyl ester, Acetic acid, (4-iodophenoxy)-, methyl ester
| Molecular Formula | C9H9IO3 |
|---|---|
| Molecular Weight | 291.96 g/mol |
| LogP | 1.843 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.95963 |
| Heavy Atoms | 13 |
| Complexity | 281.41623 |
Chemical Identifiers
| CAS Number | 81720-18-5 |
|---|---|
| SMILES | COC(=O)COC1=CC=C(C=C1)I |
Product Overview
Methyl 2-(4-iodophenoxy)acetate (CAS 81720-18-5), with molecular formula C9H9IO3 and molecular weight 291.96 g/mol. IUPAC: methyl 2-(4-iodophenoxy)acetate.
Chemical Property Profile of Methyl 2-(4-iodophenoxy)acetate
Property Insights of Methyl 2-(4-iodophenoxy)acetate
The XLogP value of 1.843 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(4-iodophenoxy)acetate. With a topological polar surface area (TPSA) of 35.53 Ų, Methyl 2-(4-iodophenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(4-iodophenoxy)acetate has 0 hydrogen bond donor(s) and 3 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 Methyl 2-(4-iodophenoxy)acetate?
The CAS number of Methyl 2-(4-iodophenoxy)acetate is 81720-18-5.
What is the molecular formula of Methyl 2-(4-iodophenoxy)acetate?
The molecular formula of Methyl 2-(4-iodophenoxy)acetate is C9H9IO3.
What is the molecular weight of Methyl 2-(4-iodophenoxy)acetate?
The molecular weight of Methyl 2-(4-iodophenoxy)acetate is 291.96 g/mol.
Where can I buy Methyl 2-(4-iodophenoxy)acetate?
You can request a quote for Methyl 2-(4-iodophenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(4-iodophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(4-iodophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.