1,2-Diphenylbutane
TL;DR: 1,2-Diphenylbutane (CAS 5223-59-6) is a chemical compound with molecular formula C16H18 and molecular weight 210.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylbutan-2-ylbenzene
Also Known As: 1,2-Diphenylbutane, alpha-Ethylbibenzyl, (2-phenylbutyl)benzene, 1-phenylbutan-2-ylbenzene, Bibenzyl, .alpha.-ethyl-
| Molecular Formula | C16H18 |
|---|---|
| Molecular Weight | 210.14 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.14085 |
| Heavy Atoms | 16 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 5223-59-6 |
|---|---|
| SMILES | CCC(CC1=CC=CC=C1)C2=CC=CC=C2 |
| InChIKey | XJGHNXQUBBXYCH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Diphenylbutane (CAS 5223-59-6), with molecular formula C16H18 and molecular weight 210.14 g/mol. IUPAC: 1-phenylbutan-2-ylbenzene.
Chemical Property Profile of 1,2-Diphenylbutane
Property Insights of 1,2-Diphenylbutane
The XLogP value of 5.0 indicates that 1,2-Diphenylbutane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2-Diphenylbutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Diphenylbutane 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 1,2-Diphenylbutane?
The CAS number of 1,2-Diphenylbutane is 5223-59-6.
What is the molecular formula of 1,2-Diphenylbutane?
The molecular formula of 1,2-Diphenylbutane is C16H18.
What is the molecular weight of 1,2-Diphenylbutane?
The molecular weight of 1,2-Diphenylbutane is 210.14 g/mol.
Where can I buy 1,2-Diphenylbutane?
You can request a quote for 1,2-Diphenylbutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Diphenylbutane?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Diphenylbutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.