Isopentylbenzene
TL;DR: Isopentylbenzene (CAS 2049-94-7) is a chemical compound with molecular formula C11H16 and molecular weight 148.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutylbenzene
Also Known As: Isopentylbenzene, Isoamylbenzene, (3-METHYLBUTYL)BENZENE, 3-methylbutylbenzene, Benzene, (3-methylbutyl)-
| Molecular Formula | C11H16 |
|---|---|
| Molecular Weight | 148.13 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 148.1252 |
| Heavy Atoms | 11 |
| Complexity | 88.0 |
Chemical Identifiers
| CAS Number | 2049-94-7 |
|---|---|
| SMILES | CC(C)CCC1=CC=CC=C1 |
| InChIKey | XNXIYYFOYIUJIW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopentylbenzene (CAS 2049-94-7), with molecular formula C11H16 and molecular weight 148.13 g/mol. IUPAC: 3-methylbutylbenzene.
Chemical Property Profile of Isopentylbenzene
Property Insights of Isopentylbenzene
The XLogP value of 4.5 indicates that Isopentylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Isopentylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopentylbenzene 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 Isopentylbenzene?
The CAS number of Isopentylbenzene is 2049-94-7.
What is the molecular formula of Isopentylbenzene?
The molecular formula of Isopentylbenzene is C11H16.
What is the molecular weight of Isopentylbenzene?
The molecular weight of Isopentylbenzene is 148.13 g/mol.
Where can I buy Isopentylbenzene?
You can request a quote for Isopentylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopentylbenzene?
Yes, KEHONG BIO provides custom synthesis services for Isopentylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.