Benzene, (1-pentyloctyl)-
TL;DR: Benzene, (1-pentyloctyl)- (CAS 4534-49-0) is a chemical compound with molecular formula C19H32 and molecular weight 260.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tridecan-6-ylbenzene
Also Known As: 6-Phenyltridecane, tridecan-6-ylbenzene, Benzene, (1-pentyloctyl)-, Tridecane, 6-phenyl-, 1-Pentyloctylbenzene
| Molecular Formula | C19H32 |
|---|---|
| Molecular Weight | 260.25 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 11 |
| Exact Mass | 260.2504 |
| Heavy Atoms | 19 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 4534-49-0 |
|---|---|
| SMILES | CCCCCCCC(CCCCC)C1=CC=CC=C1 |
| InChIKey | OTSYFFDVDLHIKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, (1-pentyloctyl)- (CAS 4534-49-0), with molecular formula C19H32 and molecular weight 260.25 g/mol. IUPAC: tridecan-6-ylbenzene.
Chemical Property Profile of Benzene, (1-pentyloctyl)-
Property Insights of Benzene, (1-pentyloctyl)-
The XLogP value of 8.5 indicates that Benzene, (1-pentyloctyl)- 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-pentyloctyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, (1-pentyloctyl)- 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-pentyloctyl)-?
The CAS number of Benzene, (1-pentyloctyl)- is 4534-49-0.
What is the molecular formula of Benzene, (1-pentyloctyl)-?
The molecular formula of Benzene, (1-pentyloctyl)- is C19H32.
What is the molecular weight of Benzene, (1-pentyloctyl)-?
The molecular weight of Benzene, (1-pentyloctyl)- is 260.25 g/mol.
Where can I buy Benzene, (1-pentyloctyl)-?
You can request a quote for Benzene, (1-pentyloctyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, (1-pentyloctyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, (1-pentyloctyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.