2,6,7-Trioxabicyclo(2.2.2)octane, 4-(chloromethyl)-1-(4-ethynylphenyl)-
TL;DR: 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(chloromethyl)-1-(4-ethynylphenyl)- (CAS 134133-91-8) is a chemical compound with molecular formula C14H13ClO3 and molecular weight 264.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(chloromethyl)-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(chloromethyl)-1-(4-ethynylphenyl)-, 4-(Chloromethyl)-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo(2.2.2)octane, 1-(chloromethyl)-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane, 2,6,7-Trioxabicyclo(2.2.2)octane,4-(chloromethyl)-1-(4-ethynylphenyl), 4-(CHLOROMETHYL)-1-(4-ETHYNYLPHENYL)-2,6,7-TRIOXABICYCLO[2.2.2]OCTANE
| Molecular Formula | C14H13ClO3 |
|---|---|
| Molecular Weight | 264.06 g/mol |
| LogP | 2.0804 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.05533 |
| Heavy Atoms | 18 |
| Complexity | 464.2264 |
Chemical Identifiers
| CAS Number | 134133-91-8 |
|---|---|
| SMILES | C#CC1=CC=C(C=C1)C23OCC(CO2)(CO3)CCl |
Product Overview
2,6,7-Trioxabicyclo(2.2.2)octane, 4-(chloromethyl)-1-(4-ethynylphenyl)- (CAS 134133-91-8), with molecular formula C14H13ClO3 and molecular weight 264.06 g/mol. IUPAC: 4-(chloromethyl)-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(chloromethyl)-1-(4-ethynylphenyl)-
Property Insights of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(chloromethyl)-1-(4-ethynylphenyl)-
The XLogP value of 2.0804 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(chloromethyl)-1-(4-ethynylphenyl)-. With a topological polar surface area (TPSA) of 27.69 Ų, 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(chloromethyl)-1-(4-ethynylphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(chloromethyl)-1-(4-ethynylphenyl)- has 0 hydrogen bond donor(s) and 3 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 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(chloromethyl)-1-(4-ethynylphenyl)-?
The CAS number of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(chloromethyl)-1-(4-ethynylphenyl)- is 134133-91-8.
What is the molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(chloromethyl)-1-(4-ethynylphenyl)-?
The molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(chloromethyl)-1-(4-ethynylphenyl)- is C14H13ClO3.
What is the molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(chloromethyl)-1-(4-ethynylphenyl)-?
The molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(chloromethyl)-1-(4-ethynylphenyl)- is 264.06 g/mol.
Where can I buy 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(chloromethyl)-1-(4-ethynylphenyl)-?
You can request a quote for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(chloromethyl)-1-(4-ethynylphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(chloromethyl)-1-(4-ethynylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(chloromethyl)-1-(4-ethynylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.