Methyl 3-iodobenzoate
TL;DR: Methyl 3-iodobenzoate (CAS 618-91-7) 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.
methyl 3-iodobenzoate
Also Known As: Methyl 3-iodobenzoate, Methyl m-iodobenzoate, Methyl3-iodobenzoate, 3-Iodomethylbenzoate, null
| Molecular Formula | C8H7IO2 |
|---|---|
| Molecular Weight | 261.95 g/mol |
| LogP | 3.1 |
| 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 | 147.0 |
Chemical Identifiers
| CAS Number | 618-91-7 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)I |
| InChIKey | NPXOIGSBRLCOSD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-iodobenzoate (CAS 618-91-7), with molecular formula C8H7IO2 and molecular weight 261.95 g/mol. IUPAC: methyl 3-iodobenzoate.
Chemical Property Profile of Methyl 3-iodobenzoate
Property Insights of Methyl 3-iodobenzoate
The XLogP value of 3.1 indicates that Methyl 3-iodobenzoate 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-iodobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-iodobenzoate 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-iodobenzoate?
The CAS number of Methyl 3-iodobenzoate is 618-91-7.
What is the molecular formula of Methyl 3-iodobenzoate?
The molecular formula of Methyl 3-iodobenzoate is C8H7IO2.
What is the molecular weight of Methyl 3-iodobenzoate?
The molecular weight of Methyl 3-iodobenzoate is 261.95 g/mol.
Where can I buy Methyl 3-iodobenzoate?
You can request a quote for Methyl 3-iodobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-iodobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-iodobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.