Methyl 3-(4-iodophenyl)propanoate
TL;DR: Methyl 3-(4-iodophenyl)propanoate (CAS 33994-44-4) is a chemical compound with molecular formula C10H11IO2 and molecular weight 289.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-iodophenyl)propanoate
Also Known As: Methyl 3-(4-iodophenyl)propanoate, methyl p-iododihydrocinnamate, Methyl (4-iodophenyl)propanoate, methyl 4-iodophenylpropionate, Methyl3-(4-Iodophenyl)propanoate
| Molecular Formula | C10H11IO2 |
|---|---|
| Molecular Weight | 289.98 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.98038 |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 33994-44-4 |
|---|---|
| SMILES | COC(=O)CCC1=CC=C(C=C1)I |
| InChIKey | LDCXVBUZHUHPAJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-(4-iodophenyl)propanoate (CAS 33994-44-4), with molecular formula C10H11IO2 and molecular weight 289.98 g/mol. IUPAC: methyl 3-(4-iodophenyl)propanoate.
Chemical Property Profile of Methyl 3-(4-iodophenyl)propanoate
Property Insights of Methyl 3-(4-iodophenyl)propanoate
The XLogP value of 3.0 indicates that Methyl 3-(4-iodophenyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-(4-iodophenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(4-iodophenyl)propanoate 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 Methyl 3-(4-iodophenyl)propanoate?
The CAS number of Methyl 3-(4-iodophenyl)propanoate is 33994-44-4.
What is the molecular formula of Methyl 3-(4-iodophenyl)propanoate?
The molecular formula of Methyl 3-(4-iodophenyl)propanoate is C10H11IO2.
What is the molecular weight of Methyl 3-(4-iodophenyl)propanoate?
The molecular weight of Methyl 3-(4-iodophenyl)propanoate is 289.98 g/mol.
Where can I buy Methyl 3-(4-iodophenyl)propanoate?
You can request a quote for Methyl 3-(4-iodophenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(4-iodophenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-iodophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.