Pentylbenzene
TL;DR: Pentylbenzene (CAS 538-68-1) is a chemical compound with molecular formula C11H16 and molecular weight 148.1252 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pentylbenzene
Also Known As: Pentylbenzene, 1-Phenylpentane, Amylbenzene, n-Pentylbenzene, 1-Pentylbenzene
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H16 |
| Molecular Weight | 148.1252 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 148.1252 Da |
| Heavy Atoms | 11 |
| Complexity | 80.0 |
| Vapor Pressure | 0.43 [mmHg] |
| SMILES | CCCCCC1=CC=CC=C1 |
| InChIKey | PWATWSYOIIXYMA-UHFFFAOYSA-N |
Product Description
Applications: Pentylbenzene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Pentylbenzene (CAS 538-68-1) is a heterocyclic building block with the molecular formula C11H16 and a molecular weight of 148.13 g/mol. Synonyms include Pentylbenzene and 1-Phenylpentane.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Pentylbenzene
Property Insights of Pentylbenzene
The XLogP value of 5.0 indicates that Pentylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Pentylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentylbenzene 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
What is the CAS number of Pentylbenzene?
The CAS number of Pentylbenzene is 538-68-1.
What is the molecular formula of Pentylbenzene?
The molecular formula of Pentylbenzene is C11H16.
What is the molecular weight of Pentylbenzene?
The molecular weight of Pentylbenzene is 148.1252 g/mol.
What are the applications of Pentylbenzene?
Pentylbenzene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both...
Where can I buy Pentylbenzene?
You can request a quote for Pentylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentylbenzene?
Yes, CoreyChem provides custom synthesis services for Pentylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.