1,2,6-Cyclononatriene
TL;DR: 1,2,6-Cyclononatriene (CAS 1502-42-7) is a chemical compound with molecular formula C9H12 and molecular weight 120.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclonona-1,2,6-triene
Also Known As: 1,2,6-Cyclononatriene, Cyclonona-1,2,6-triene, Cyclo-nona-1,2,6-trien, RefChem:215403
| Molecular Formula | C9H12 |
|---|---|
| Molecular Weight | 120.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 120.0939 |
| Heavy Atoms | 9 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 1502-42-7 |
|---|---|
| SMILES | C1CC=C=CCCC=C1 |
| InChIKey | QNZNFKRCAMWGDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,6-Cyclononatriene (CAS 1502-42-7), with molecular formula C9H12 and molecular weight 120.09 g/mol. IUPAC: cyclonona-1,2,6-triene.
Chemical Property Profile of 1,2,6-Cyclononatriene
Property Insights of 1,2,6-Cyclononatriene
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,6-Cyclononatriene. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2,6-Cyclononatriene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,6-Cyclononatriene 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 1,2,6-Cyclononatriene?
The CAS number of 1,2,6-Cyclononatriene is 1502-42-7.
What is the molecular formula of 1,2,6-Cyclononatriene?
The molecular formula of 1,2,6-Cyclononatriene is C9H12.
What is the molecular weight of 1,2,6-Cyclononatriene?
The molecular weight of 1,2,6-Cyclononatriene is 120.09 g/mol.
Where can I buy 1,2,6-Cyclononatriene?
You can request a quote for 1,2,6-Cyclononatriene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,6-Cyclononatriene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,6-Cyclononatriene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.