6-Heptynylbenzene
TL;DR: 6-Heptynylbenzene (CAS 56293-02-8) is a chemical compound with molecular formula C13H16 and molecular weight 172.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hept-6-ynylbenzene
Also Known As: 6-Heptynylbenzene, hept-6-ynylbenzene, 6-heptyn-1-ylBenzene, Benzene, 6-heptynyl-, 6-Heptynylbenzene #
| Molecular Formula | C13H16 |
|---|---|
| Molecular Weight | 172.13 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 | 172.1252 |
| Heavy Atoms | 13 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 56293-02-8 |
|---|---|
| SMILES | C#CCCCCCC1=CC=CC=C1 |
| InChIKey | QNHLQVQSWWKZTF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Heptynylbenzene (CAS 56293-02-8), with molecular formula C13H16 and molecular weight 172.13 g/mol. IUPAC: hept-6-ynylbenzene.
Chemical Property Profile of 6-Heptynylbenzene
Property Insights of 6-Heptynylbenzene
The XLogP value of 5.0 indicates that 6-Heptynylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 6-Heptynylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Heptynylbenzene 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 6-Heptynylbenzene?
The CAS number of 6-Heptynylbenzene is 56293-02-8.
What is the molecular formula of 6-Heptynylbenzene?
The molecular formula of 6-Heptynylbenzene is C13H16.
What is the molecular weight of 6-Heptynylbenzene?
The molecular weight of 6-Heptynylbenzene is 172.13 g/mol.
Where can I buy 6-Heptynylbenzene?
You can request a quote for 6-Heptynylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Heptynylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 6-Heptynylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.