(1-Butoxy-1-methylethyl)benzene
TL;DR: (1-Butoxy-1-methylethyl)benzene (CAS 72676-96-1) is a chemical compound with molecular formula C13H20O and molecular weight 192.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butoxypropan-2-ylbenzene
Also Known As: p-Butoxyisopropylbenzene, (1-Butoxy-1-methylethyl)benzene, (2-butoxypropan-2-yl)benzene, 2-butoxypropan-2-ylbenzene, (1-Butoxy-1-methylethyl)benzene #
| Molecular Formula | C13H20O |
|---|---|
| Molecular Weight | 192.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.15141 |
| Heavy Atoms | 14 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 72676-96-1 |
|---|---|
| SMILES | CCCCOC(C)(C)C1=CC=CC=C1 |
| InChIKey | GATSVPFYPIBDAR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1-Butoxy-1-methylethyl)benzene (CAS 72676-96-1), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: 2-butoxypropan-2-ylbenzene.
Chemical Property Profile of (1-Butoxy-1-methylethyl)benzene
Property Insights of (1-Butoxy-1-methylethyl)benzene
The XLogP value of 3.4 indicates that (1-Butoxy-1-methylethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, (1-Butoxy-1-methylethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Butoxy-1-methylethyl)benzene 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 (1-Butoxy-1-methylethyl)benzene?
The CAS number of (1-Butoxy-1-methylethyl)benzene is 72676-96-1.
What is the molecular formula of (1-Butoxy-1-methylethyl)benzene?
The molecular formula of (1-Butoxy-1-methylethyl)benzene is C13H20O.
What is the molecular weight of (1-Butoxy-1-methylethyl)benzene?
The molecular weight of (1-Butoxy-1-methylethyl)benzene is 192.15 g/mol.
Where can I buy (1-Butoxy-1-methylethyl)benzene?
You can request a quote for (1-Butoxy-1-methylethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Butoxy-1-methylethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (1-Butoxy-1-methylethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.