2-Iodo-5-methylanisole
TL;DR: 2-Iodo-5-methylanisole (CAS 186583-59-5) is a chemical compound with molecular formula C8H9IO and molecular weight 247.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-iodo-2-methoxy-4-methylbenzene
Also Known As: 1-iodo-2-methoxy-4-methylbenzene, 2-Iodo-5-methylanisole, Benzene, 1-iodo-2-methoxy-4-methyl-, 3-Methoxy-4-iodotoluene, 1-iodo-2-methoxy-4-methyl-benzene
| Molecular Formula | C8H9IO |
|---|---|
| Molecular Weight | 247.97 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.9698 |
| Heavy Atoms | 10 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 186583-59-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)I)OC |
| InChIKey | LVDHTYMXUHPTOP-UHFFFAOYSA-N |
Product Overview
2-Iodo-5-methylanisole (CAS 186583-59-5), with molecular formula C8H9IO and molecular weight 247.97 g/mol. IUPAC: 1-iodo-2-methoxy-4-methylbenzene.
Chemical Property Profile of 2-Iodo-5-methylanisole
Property Insights of 2-Iodo-5-methylanisole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Iodo-5-methylanisole. With a topological polar surface area (TPSA) of 9.2 Ų, 2-Iodo-5-methylanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Iodo-5-methylanisole 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-5-methylanisole?
The CAS number of 2-Iodo-5-methylanisole is 186583-59-5.
What is the molecular formula of 2-Iodo-5-methylanisole?
The molecular formula of 2-Iodo-5-methylanisole is C8H9IO.
What is the molecular weight of 2-Iodo-5-methylanisole?
The molecular weight of 2-Iodo-5-methylanisole is 247.97 g/mol.
Where can I buy 2-Iodo-5-methylanisole?
You can request a quote for 2-Iodo-5-methylanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Iodo-5-methylanisole?
Yes, KEHONG BIO provides custom synthesis services for 2-Iodo-5-methylanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.