Bicyclo(7.2.2)trideca-9,11,12-triene
TL;DR: Bicyclo(7.2.2)trideca-9,11,12-triene (CAS 3761-63-5) is a chemical compound with molecular formula C13H18 and molecular weight 174.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bicyclo[7.2.2]trideca-1(11),9,12-triene
Also Known As: [7]Paracyclophane|Bicyclo(7.2.2)trideca-9,11,12-triene|bicyclo[7.2.2]trideca-1(11),9,12-triene|Bicyclo[7.2.2]trideca-9,11 ,12-triene|Bicyclo[7.2.2]trideca-9,11(1),12-triene|Bicyclo[7.2.2]trideca-9,11,12-triene|2-Chloroethyl 2-(2-(4-(1,1-dimethylethyl)phenoxy)-1-methylethoxy)-1-methylethyl sulfuroate|RefChem:329433|DTXCID10113539
| Molecular Formula | C13H18 |
|---|---|
| Molecular Weight | 174.14 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.14085 |
| Heavy Atoms | 13 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 3761-63-5 |
|---|---|
| SMILES | C1CCCC2=CC=C(CCC1)C=C2 |
| InChIKey | MGCLXVBQCDCWPA-UHFFFAOYSA-N |
Product Overview
Bicyclo(7.2.2)trideca-9,11,12-triene (CAS 3761-63-5), with molecular formula C13H18 and molecular weight 174.14 g/mol. IUPAC: bicyclo[7.2.2]trideca-1(11),9,12-triene.
Chemical Property Profile of Bicyclo(7.2.2)trideca-9,11,12-triene
Property Insights of Bicyclo(7.2.2)trideca-9,11,12-triene
The XLogP value of 4.9 indicates that Bicyclo(7.2.2)trideca-9,11,12-triene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Bicyclo(7.2.2)trideca-9,11,12-triene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo(7.2.2)trideca-9,11,12-triene 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 Bicyclo(7.2.2)trideca-9,11,12-triene?
The CAS number of Bicyclo(7.2.2)trideca-9,11,12-triene is 3761-63-5.
What is the molecular formula of Bicyclo(7.2.2)trideca-9,11,12-triene?
The molecular formula of Bicyclo(7.2.2)trideca-9,11,12-triene is C13H18.
What is the molecular weight of Bicyclo(7.2.2)trideca-9,11,12-triene?
The molecular weight of Bicyclo(7.2.2)trideca-9,11,12-triene is 174.14 g/mol.
Where can I buy Bicyclo(7.2.2)trideca-9,11,12-triene?
You can request a quote for Bicyclo(7.2.2)trideca-9,11,12-triene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo(7.2.2)trideca-9,11,12-triene?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo(7.2.2)trideca-9,11,12-triene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.