m-Tert-amyltoluene
TL;DR: m-Tert-amyltoluene (CAS 33125-57-4) is a chemical compound with molecular formula C12H18 and molecular weight 162.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-(2-methylbutan-2-yl)benzene
Also Known As: m-tert-amyltoluene, m-(1,1-dimethylpropyl)toluene, 3-(1,1-Dimethylpropyl)toluene, 1-methyl-3-(2-methylbutan-2-yl)benzene, Benzene, 1-(1,1-dimethylpropyl)-3-methyl-
| Molecular Formula | C12H18 |
|---|---|
| Molecular Weight | 162.14 g/mol |
| LogP | 3.68262 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.14085 |
| Heavy Atoms | 12 |
| Complexity | 258.49576 |
Chemical Identifiers
| CAS Number | 33125-57-4 |
|---|---|
| SMILES | CCC(C)(C)C1=CC=CC(=C1)C |
Product Overview
m-Tert-amyltoluene (CAS 33125-57-4), with molecular formula C12H18 and molecular weight 162.14 g/mol. IUPAC: 1-methyl-3-(2-methylbutan-2-yl)benzene.
Chemical Property Profile of m-Tert-amyltoluene
Property Insights of m-Tert-amyltoluene
The XLogP value of 3.68262 indicates that m-Tert-amyltoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, m-Tert-amyltoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, m-Tert-amyltoluene 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 m-Tert-amyltoluene?
The CAS number of m-Tert-amyltoluene is 33125-57-4.
What is the molecular formula of m-Tert-amyltoluene?
The molecular formula of m-Tert-amyltoluene is C12H18.
What is the molecular weight of m-Tert-amyltoluene?
The molecular weight of m-Tert-amyltoluene is 162.14 g/mol.
Where can I buy m-Tert-amyltoluene?
You can request a quote for m-Tert-amyltoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Tert-amyltoluene?
Yes, KEHONG BIO provides custom synthesis services for m-Tert-amyltoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.