1-(Iodomethyl)-2-methylbenzene
TL;DR: 1-(Iodomethyl)-2-methylbenzene (CAS 35509-93-4) is a chemical compound with molecular formula C8H9I and molecular weight 231.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(iodomethyl)-2-methylbenzene
Also Known As: 1-(iodomethyl)-2-methylbenzene, 2-methylbenzyl iodide, benzene, 1-(iodomethyl)-2-methyl-, InChI=1/C8H9I/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H
| Molecular Formula | C8H9I |
|---|---|
| Molecular Weight | 231.97 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.9749 |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 35509-93-4 |
|---|---|
| SMILES | CC1=CC=CC=C1CI |
| InChIKey | OMSLLABRPCKBOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Iodomethyl)-2-methylbenzene (CAS 35509-93-4), with molecular formula C8H9I and molecular weight 231.97 g/mol. IUPAC: 1-(iodomethyl)-2-methylbenzene.
Chemical Property Profile of 1-(Iodomethyl)-2-methylbenzene
Property Insights of 1-(Iodomethyl)-2-methylbenzene
The XLogP value of 3.7 indicates that 1-(Iodomethyl)-2-methylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-(Iodomethyl)-2-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Iodomethyl)-2-methylbenzene has 0 hydrogen bond donor(s) and 0 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 1-(Iodomethyl)-2-methylbenzene?
The CAS number of 1-(Iodomethyl)-2-methylbenzene is 35509-93-4.
What is the molecular formula of 1-(Iodomethyl)-2-methylbenzene?
The molecular formula of 1-(Iodomethyl)-2-methylbenzene is C8H9I.
What is the molecular weight of 1-(Iodomethyl)-2-methylbenzene?
The molecular weight of 1-(Iodomethyl)-2-methylbenzene is 231.97 g/mol.
Where can I buy 1-(Iodomethyl)-2-methylbenzene?
You can request a quote for 1-(Iodomethyl)-2-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Iodomethyl)-2-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Iodomethyl)-2-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.