![5-Ethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene structure](/static/products/1118/111870-61-2.webp)
5-Ethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
TL;DR: 5-Ethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene (CAS 111870-61-2) is a chemical compound with molecular formula C18H16 and molecular weight 232.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethynyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
Also Known As: 4-Ethynyl[2.2]paracyclophane, GCRYBHUTYSZNKJ-UHFFFAOYSA-, J1.057.312B, 10.14272/GCRYBHUTYSZNKJ-UHFFFAOYSA-N.1, 10.14272/GCRYBHUTYSZNKJ-UHFFFAOYSA-N.2
| Molecular Formula | C18H16 |
|---|---|
| Molecular Weight | 232.13 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.1252 |
| Heavy Atoms | 18 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 111870-61-2 |
|---|---|
| SMILES | C#CC1=C2CCC3=CC=C(CCC(=C1)C=C2)C=C3 |
| InChIKey | GCRYBHUTYSZNKJ-UHFFFAOYSA-N |
Product Overview
5-Ethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene (CAS 111870-61-2), with molecular formula C18H16 and molecular weight 232.13 g/mol. IUPAC: 5-ethynyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene.
Chemical Property Profile of 5-Ethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
Property Insights of 5-Ethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
The XLogP value of 4.7 indicates that 5-Ethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 5-Ethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Ethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene 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 5-Ethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The CAS number of 5-Ethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene is 111870-61-2.
What is the molecular formula of 5-Ethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The molecular formula of 5-Ethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene is C18H16.
What is the molecular weight of 5-Ethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The molecular weight of 5-Ethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene is 232.13 g/mol.
Where can I buy 5-Ethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
You can request a quote for 5-Ethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.