2-Iodo-1-(4-methylphenyl)ethanone
TL;DR: 2-Iodo-1-(4-methylphenyl)ethanone (CAS 40805-62-7) is a chemical compound with molecular formula C9H9IO and molecular weight 259.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-iodo-1-(4-methylphenyl)ethanone
Also Known As: 4-Methylphenacyl iodide, 2-iodo-1-(4-methylphenyl)ethanone, 1-iodo-2-p-tolylethan-2-one, 4 -Methyl-alpha-iodoacetophenone, alpha-Iodo-4 -methylacetophenone
| Molecular Formula | C9H9IO |
|---|---|
| Molecular Weight | 259.97 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.96982 |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 40805-62-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CI |
| InChIKey | ONRXEKMCBRJCPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Iodo-1-(4-methylphenyl)ethanone (CAS 40805-62-7), with molecular formula C9H9IO and molecular weight 259.97 g/mol. IUPAC: 2-iodo-1-(4-methylphenyl)ethanone.
Chemical Property Profile of 2-Iodo-1-(4-methylphenyl)ethanone
Property Insights of 2-Iodo-1-(4-methylphenyl)ethanone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Iodo-1-(4-methylphenyl)ethanone. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Iodo-1-(4-methylphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Iodo-1-(4-methylphenyl)ethanone has 0 hydrogen bond donor(s) and 1 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 2-Iodo-1-(4-methylphenyl)ethanone?
The CAS number of 2-Iodo-1-(4-methylphenyl)ethanone is 40805-62-7.
What is the molecular formula of 2-Iodo-1-(4-methylphenyl)ethanone?
The molecular formula of 2-Iodo-1-(4-methylphenyl)ethanone is C9H9IO.
What is the molecular weight of 2-Iodo-1-(4-methylphenyl)ethanone?
The molecular weight of 2-Iodo-1-(4-methylphenyl)ethanone is 259.97 g/mol.
Where can I buy 2-Iodo-1-(4-methylphenyl)ethanone?
You can request a quote for 2-Iodo-1-(4-methylphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Iodo-1-(4-methylphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Iodo-1-(4-methylphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.