2-Isobutyl-5-methylanisole
TL;DR: 2-Isobutyl-5-methylanisole (CAS 94291-45-9) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-4-methyl-1-(2-methylpropyl)benzene
Also Known As: 2-Isobutyl-5-methylanisole, 2-isobutyl-5-methyl-anisole, EINECS 304-868-4, 2-methoxy-4-methyl-1-(2-methylpropyl)benzene, Benzene, 2-methoxy-4-methyl-1-(2-methylpropyl)-
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 3.20212 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 276.453 |
Chemical Identifiers
| CAS Number | 94291-45-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)CC(C)C)OC |
Product Overview
2-Isobutyl-5-methylanisole (CAS 94291-45-9), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 2-methoxy-4-methyl-1-(2-methylpropyl)benzene.
Chemical Property Profile of 2-Isobutyl-5-methylanisole
Property Insights of 2-Isobutyl-5-methylanisole
The XLogP value of 3.20212 indicates that 2-Isobutyl-5-methylanisole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 2-Isobutyl-5-methylanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isobutyl-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-Isobutyl-5-methylanisole?
The CAS number of 2-Isobutyl-5-methylanisole is 94291-45-9.
What is the molecular formula of 2-Isobutyl-5-methylanisole?
The molecular formula of 2-Isobutyl-5-methylanisole is C12H18O.
What is the molecular weight of 2-Isobutyl-5-methylanisole?
The molecular weight of 2-Isobutyl-5-methylanisole is 178.14 g/mol.
Where can I buy 2-Isobutyl-5-methylanisole?
You can request a quote for 2-Isobutyl-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-Isobutyl-5-methylanisole?
Yes, KEHONG BIO provides custom synthesis services for 2-Isobutyl-5-methylanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.