(3,3-Dimethyl-1-phenylbutyl)benzene
TL;DR: (3,3-Dimethyl-1-phenylbutyl)benzene (CAS 57123-34-9) is a chemical compound with molecular formula C18H22 and molecular weight 238.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,3-dimethyl-1-phenylbutyl)benzene
Also Known As: 1,1'- bisbenzene, (3,3-Dimethyl-1-phenylbutyl)benzene, 1,1-diphenyl-3,3-dimethylbutane, Benzene, 1,1'-(3,3-dimethylbutylidene)bis-, (3,3-Dimethyl-1-phenylbutyl)benzene #
| Molecular Formula | C18H22 |
|---|---|
| Molecular Weight | 238.17 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.17215 |
| Heavy Atoms | 18 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 57123-34-9 |
|---|---|
| SMILES | CC(C)(C)CC(C1=CC=CC=C1)C2=CC=CC=C2 |
| InChIKey | LRFSDPAZFHHGLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3,3-Dimethyl-1-phenylbutyl)benzene (CAS 57123-34-9), with molecular formula C18H22 and molecular weight 238.17 g/mol. IUPAC: (3,3-dimethyl-1-phenylbutyl)benzene.
Chemical Property Profile of (3,3-Dimethyl-1-phenylbutyl)benzene
Property Insights of (3,3-Dimethyl-1-phenylbutyl)benzene
The XLogP value of 5.9 indicates that (3,3-Dimethyl-1-phenylbutyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, (3,3-Dimethyl-1-phenylbutyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,3-Dimethyl-1-phenylbutyl)benzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3,3-Dimethyl-1-phenylbutyl)benzene?
The CAS number of (3,3-Dimethyl-1-phenylbutyl)benzene is 57123-34-9.
What is the molecular formula of (3,3-Dimethyl-1-phenylbutyl)benzene?
The molecular formula of (3,3-Dimethyl-1-phenylbutyl)benzene is C18H22.
What is the molecular weight of (3,3-Dimethyl-1-phenylbutyl)benzene?
The molecular weight of (3,3-Dimethyl-1-phenylbutyl)benzene is 238.17 g/mol.
Where can I buy (3,3-Dimethyl-1-phenylbutyl)benzene?
You can request a quote for (3,3-Dimethyl-1-phenylbutyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,3-Dimethyl-1-phenylbutyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (3,3-Dimethyl-1-phenylbutyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.