Hexatriyne
TL;DR: Hexatriyne (CAS 3161-99-7) is a chemical compound with molecular formula C6H2 and molecular weight 74.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexa-1,3,5-triyne
Also Known As: Triacetylene, 1,3,5-Hexatriyne, hexa-1,3,5-triyne, hexatriyne, HC#C-C#C-C#CH
| Molecular Formula | C6H2 |
|---|---|
| Molecular Weight | 74.02 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 74.01565 |
| Heavy Atoms | 6 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 3161-99-7 |
|---|---|
| SMILES | C#CC#CC#C |
| InChIKey | MZHROOGPARRVHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexatriyne (CAS 3161-99-7), with molecular formula C6H2 and molecular weight 74.02 g/mol. IUPAC: hexa-1,3,5-triyne.
Chemical Property Profile of Hexatriyne
Property Insights of Hexatriyne
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexatriyne. With a topological polar surface area (TPSA) of 0.0 Ų, Hexatriyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexatriyne 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 Hexatriyne?
The CAS number of Hexatriyne is 3161-99-7.
What is the molecular formula of Hexatriyne?
The molecular formula of Hexatriyne is C6H2.
What is the molecular weight of Hexatriyne?
The molecular weight of Hexatriyne is 74.02 g/mol.
Where can I buy Hexatriyne?
You can request a quote for Hexatriyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexatriyne?
Yes, KEHONG BIO provides custom synthesis services for Hexatriyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.