1-(4-Cyanophenyl)-4-(1-methylprop-2-enyl)-2,6,7-trioxabicyclo(2.2.2)octane
TL;DR: 1-(4-Cyanophenyl)-4-(1-methylprop-2-enyl)-2,6,7-trioxabicyclo(2.2.2)octane (CAS 135097-63-1) is a chemical compound with molecular formula C16H17NO3 and molecular weight 271.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-but-3-en-2-yl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)benzonitrile
Also Known As: Cyano-tbo, 1-4-2,6,7-trioxabicyclo octane, 1-(4-Cyanophenyl)-4-(1-methylprop-2-enyl)-tbo, 1- -4- -2,6,7-trioxabicyclo octane, 1-(4-Cyanophenyl)-4-(1-methylprop-2-enyl)-2,6,7-trioxabicyclo(2.2.2)octane
| Molecular Formula | C16H17NO3 |
|---|---|
| Molecular Weight | 271.12 g/mol |
| LogP | 2.55408 |
| Topological Polar Surface Area | 51.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.12085 |
| Heavy Atoms | 20 |
| Complexity | 533.55054 |
Chemical Identifiers
| CAS Number | 135097-63-1 |
|---|---|
| SMILES | CC(C=C)C12COC(OC1)(OC2)C3=CC=C(C=C3)C#N |
Product Overview
1-(4-Cyanophenyl)-4-(1-methylprop-2-enyl)-2,6,7-trioxabicyclo(2.2.2)octane (CAS 135097-63-1), with molecular formula C16H17NO3 and molecular weight 271.12 g/mol. IUPAC: 4-(4-but-3-en-2-yl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)benzonitrile.
Chemical Property Profile of 1-(4-Cyanophenyl)-4-(1-methylprop-2-enyl)-2,6,7-trioxabicyclo(2.2.2)octane
Property Insights of 1-(4-Cyanophenyl)-4-(1-methylprop-2-enyl)-2,6,7-trioxabicyclo(2.2.2)octane
The XLogP value of 2.55408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Cyanophenyl)-4-(1-methylprop-2-enyl)-2,6,7-trioxabicyclo(2.2.2)octane. With a topological polar surface area (TPSA) of 51.48 Ų, 1-(4-Cyanophenyl)-4-(1-methylprop-2-enyl)-2,6,7-trioxabicyclo(2.2.2)octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Cyanophenyl)-4-(1-methylprop-2-enyl)-2,6,7-trioxabicyclo(2.2.2)octane has 0 hydrogen bond donor(s) and 4 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-(4-Cyanophenyl)-4-(1-methylprop-2-enyl)-2,6,7-trioxabicyclo(2.2.2)octane?
The CAS number of 1-(4-Cyanophenyl)-4-(1-methylprop-2-enyl)-2,6,7-trioxabicyclo(2.2.2)octane is 135097-63-1.
What is the molecular formula of 1-(4-Cyanophenyl)-4-(1-methylprop-2-enyl)-2,6,7-trioxabicyclo(2.2.2)octane?
The molecular formula of 1-(4-Cyanophenyl)-4-(1-methylprop-2-enyl)-2,6,7-trioxabicyclo(2.2.2)octane is C16H17NO3.
What is the molecular weight of 1-(4-Cyanophenyl)-4-(1-methylprop-2-enyl)-2,6,7-trioxabicyclo(2.2.2)octane?
The molecular weight of 1-(4-Cyanophenyl)-4-(1-methylprop-2-enyl)-2,6,7-trioxabicyclo(2.2.2)octane is 271.12 g/mol.
Where can I buy 1-(4-Cyanophenyl)-4-(1-methylprop-2-enyl)-2,6,7-trioxabicyclo(2.2.2)octane?
You can request a quote for 1-(4-Cyanophenyl)-4-(1-methylprop-2-enyl)-2,6,7-trioxabicyclo(2.2.2)octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Cyanophenyl)-4-(1-methylprop-2-enyl)-2,6,7-trioxabicyclo(2.2.2)octane?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Cyanophenyl)-4-(1-methylprop-2-enyl)-2,6,7-trioxabicyclo(2.2.2)octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.