Hept-2-enylbenzene
TL;DR: Hept-2-enylbenzene (CAS 26447-63-2) 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-2-enylbenzene
Also Known As: 2-HEPTENYLBENZENE, (2E)-2-Heptenylbenzene
| Molecular Formula | C13H18 |
|---|---|
| Molecular Weight | 174.14 g/mol |
| LogP | 4.7 |
| 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 | 26447-63-2 |
|---|---|
| SMILES | CCCCC=CCC1=CC=CC=C1 |
| InChIKey | ZXOFDLMHPUQRCE-UHFFFAOYSA-N |
Product Overview
Hept-2-enylbenzene (CAS 26447-63-2), with molecular formula C13H18 and molecular weight 174.14 g/mol. IUPAC: hept-2-enylbenzene.
Chemical Property Profile of Hept-2-enylbenzene
Property Insights of Hept-2-enylbenzene
The XLogP value of 4.7 indicates that Hept-2-enylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Hept-2-enylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hept-2-enylbenzene 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 Hept-2-enylbenzene?
The CAS number of Hept-2-enylbenzene is 26447-63-2.
What is the molecular formula of Hept-2-enylbenzene?
The molecular formula of Hept-2-enylbenzene is C13H18.
What is the molecular weight of Hept-2-enylbenzene?
The molecular weight of Hept-2-enylbenzene is 174.14 g/mol.
Where can I buy Hept-2-enylbenzene?
You can request a quote for Hept-2-enylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hept-2-enylbenzene?
Yes, KEHONG BIO provides custom synthesis services for Hept-2-enylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.