1-Heptenylbenzene
TL;DR: 1-Heptenylbenzene (CAS 26447-66-5) is a chemical compound with molecular formula C13H18 and molecular weight 174.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hept-1-enylbenzene
Also Known As: 1-HEPTENYLBENZENE, Benzene, 5-heptenyl-, (hex-1-en-1-yl)benzene
| Molecular Formula | C13H18 |
|---|---|
| Molecular Weight | 174.14 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 174.14085 |
| Heavy Atoms | 13 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 26447-66-5 |
|---|---|
| SMILES | CCCCCC=CC1=CC=CC=C1 |
| InChIKey | PNLSTDKQAPNMDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Heptenylbenzene (CAS 26447-66-5), with molecular formula C13H18 and molecular weight 174.14 g/mol. IUPAC: hept-1-enylbenzene.
Chemical Property Profile of 1-Heptenylbenzene
Property Insights of 1-Heptenylbenzene
The XLogP value of 5.0 indicates that 1-Heptenylbenzene 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-Heptenylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Heptenylbenzene 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-Heptenylbenzene?
The CAS number of 1-Heptenylbenzene is 26447-66-5.
What is the molecular formula of 1-Heptenylbenzene?
The molecular formula of 1-Heptenylbenzene is C13H18.
What is the molecular weight of 1-Heptenylbenzene?
The molecular weight of 1-Heptenylbenzene is 174.14 g/mol.
Where can I buy 1-Heptenylbenzene?
You can request a quote for 1-Heptenylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Heptenylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Heptenylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.