Benzene, 1,3,5-triethynyl-
TL;DR: Benzene, 1,3,5-triethynyl- (CAS 88666-89-1) is a chemical compound with molecular formula C12H6 and molecular weight 150.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-triethynylbenzene
Also Known As: 1,3,5-Triethynylbenzene, Benzene, 1,3,5-triethynyl-, Benzene,1,3,5-triethynyl-, 1,3,5-phenylene-triacetylene, 1,3,5-Trisethynylbenzene
| Molecular Formula | C12H6 |
|---|---|
| Molecular Weight | 150.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 150.04695 |
| Heavy Atoms | 12 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 88666-89-1 |
|---|---|
| SMILES | C#CC1=CC(=CC(=C1)C#C)C#C |
| InChIKey | ZDRMMTYSQSIGRY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1,3,5-triethynyl- (CAS 88666-89-1), with molecular formula C12H6 and molecular weight 150.05 g/mol. IUPAC: 1,3,5-triethynylbenzene.
Chemical Property Profile of Benzene, 1,3,5-triethynyl-
Property Insights of Benzene, 1,3,5-triethynyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1,3,5-triethynyl-. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 1,3,5-triethynyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1,3,5-triethynyl- 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 Benzene, 1,3,5-triethynyl-?
The CAS number of Benzene, 1,3,5-triethynyl- is 88666-89-1.
What is the molecular formula of Benzene, 1,3,5-triethynyl-?
The molecular formula of Benzene, 1,3,5-triethynyl- is C12H6.
What is the molecular weight of Benzene, 1,3,5-triethynyl-?
The molecular weight of Benzene, 1,3,5-triethynyl- is 150.05 g/mol.
Where can I buy Benzene, 1,3,5-triethynyl-?
You can request a quote for Benzene, 1,3,5-triethynyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,3,5-triethynyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,3,5-triethynyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.