Isopentyl p-tolyl ether
TL;DR: Isopentyl p-tolyl ether (CAS 23446-55-1) 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.
1-methyl-4-(3-methylbutoxy)benzene
Also Known As: Isopentyl p-tolyl ether, isopentyl-p-tolyl ether, Ether, isopentyl p-tolyl, Isopentyl(p-tolyl) ether, 3-methylbutyl 4-methylphenyl ether
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 23446-55-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCCC(C)C |
| InChIKey | BGMZYLDJORRZMQ-UHFFFAOYSA-N |
Product Overview
Isopentyl p-tolyl ether (CAS 23446-55-1), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 1-methyl-4-(3-methylbutoxy)benzene.
Chemical Property Profile of Isopentyl p-tolyl ether
Property Insights of Isopentyl p-tolyl ether
The XLogP value of 3.9 indicates that Isopentyl p-tolyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Isopentyl p-tolyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopentyl p-tolyl ether 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 Isopentyl p-tolyl ether?
The CAS number of Isopentyl p-tolyl ether is 23446-55-1.
What is the molecular formula of Isopentyl p-tolyl ether?
The molecular formula of Isopentyl p-tolyl ether is C12H18O.
What is the molecular weight of Isopentyl p-tolyl ether?
The molecular weight of Isopentyl p-tolyl ether is 178.14 g/mol.
Where can I buy Isopentyl p-tolyl ether?
You can request a quote for Isopentyl p-tolyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopentyl p-tolyl ether?
Yes, KEHONG BIO provides custom synthesis services for Isopentyl p-tolyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.