Benzene, (1-methylpropyl)(phenylmethyl)-
TL;DR: Benzene, (1-methylpropyl)(phenylmethyl)- (CAS 101646-63-3) is a chemical compound with molecular formula C17H20 and molecular weight 224.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-butan-2-ylbenzene
Also Known As: 4-Sec-butyldiphenylmethane, 4-sec.-Butyl-diphenylmethan, 1-benzyl-4-butan-2-ylbenzene, Benzene, (1-methylpropyl)(phenylmethyl)-, [4-(1-methylpropyl)phenyl]-phenylmethane
| Molecular Formula | C17H20 |
|---|---|
| Molecular Weight | 224.16 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.1565 |
| Heavy Atoms | 17 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 101646-63-3 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)CC2=CC=CC=C2 |
| InChIKey | YCCATRPFNIUXHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, (1-methylpropyl)(phenylmethyl)- (CAS 101646-63-3), with molecular formula C17H20 and molecular weight 224.16 g/mol. IUPAC: 1-benzyl-4-butan-2-ylbenzene.
Chemical Property Profile of Benzene, (1-methylpropyl)(phenylmethyl)-
Property Insights of Benzene, (1-methylpropyl)(phenylmethyl)-
The XLogP value of 5.5 indicates that Benzene, (1-methylpropyl)(phenylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, (1-methylpropyl)(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, (1-methylpropyl)(phenylmethyl)- 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 Benzene, (1-methylpropyl)(phenylmethyl)-?
The CAS number of Benzene, (1-methylpropyl)(phenylmethyl)- is 101646-63-3.
What is the molecular formula of Benzene, (1-methylpropyl)(phenylmethyl)-?
The molecular formula of Benzene, (1-methylpropyl)(phenylmethyl)- is C17H20.
What is the molecular weight of Benzene, (1-methylpropyl)(phenylmethyl)-?
The molecular weight of Benzene, (1-methylpropyl)(phenylmethyl)- is 224.16 g/mol.
Where can I buy Benzene, (1-methylpropyl)(phenylmethyl)-?
You can request a quote for Benzene, (1-methylpropyl)(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, (1-methylpropyl)(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, (1-methylpropyl)(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.