2,6,7-Trioxabicyclo(2.2.2)octan-4-amine, N,N-dimethyl-1-(4-ethynylphenyl)-
TL;DR: 2,6,7-Trioxabicyclo(2.2.2)octan-4-amine, N,N-dimethyl-1-(4-ethynylphenyl)- (CAS 134133-92-9) is a chemical compound with molecular formula C15H17NO3 and molecular weight 259.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-ethynylphenyl)-N,N-dimethyl-2,6,7-trioxabicyclo[2.2.2]octan-4-amine
Also Known As: N,N-Dimethyl-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo(2.2.2)octan-4-amine, 2,6,7-Trioxabicyclo(2.2.2)octan-4-amine, N,N-dimethyl-1-(4-ethynylphenyl)-, 4-(4-ethynylphenyl)-N,N-dimethyl-3,5,8-trioxabicyclo[2.2.2]octan-1-amine, 1-(4-ETHYNYLPHENYL)-N,N-DIMETHYL-2,6,7-TRIOXABICYCLO[2.2.2]OCTAN-4-AMINE, RefChem:247900
| Molecular Formula | C15H17NO3 |
|---|---|
| Molecular Weight | 259.12 g/mol |
| LogP | 1.1556 |
| Topological Polar Surface Area | 30.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.12085 |
| Heavy Atoms | 19 |
| Complexity | 490.65805 |
Chemical Identifiers
| CAS Number | 134133-92-9 |
|---|---|
| SMILES | CN(C)C12COC(OC1)(OC2)C3=CC=C(C=C3)C#C |
Product Overview
2,6,7-Trioxabicyclo(2.2.2)octan-4-amine, N,N-dimethyl-1-(4-ethynylphenyl)- (CAS 134133-92-9), with molecular formula C15H17NO3 and molecular weight 259.12 g/mol. IUPAC: 1-(4-ethynylphenyl)-N,N-dimethyl-2,6,7-trioxabicyclo[2.2.2]octan-4-amine.
Chemical Property Profile of 2,6,7-Trioxabicyclo(2.2.2)octan-4-amine, N,N-dimethyl-1-(4-ethynylphenyl)-
Property Insights of 2,6,7-Trioxabicyclo(2.2.2)octan-4-amine, N,N-dimethyl-1-(4-ethynylphenyl)-
The XLogP value of 1.1556 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6,7-Trioxabicyclo(2.2.2)octan-4-amine, N,N-dimethyl-1-(4-ethynylphenyl)-. With a topological polar surface area (TPSA) of 30.93 Ų, 2,6,7-Trioxabicyclo(2.2.2)octan-4-amine, N,N-dimethyl-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)octan-4-amine, N,N-dimethyl-1-(4-ethynylphenyl)- 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 2,6,7-Trioxabicyclo(2.2.2)octan-4-amine, N,N-dimethyl-1-(4-ethynylphenyl)-?
The CAS number of 2,6,7-Trioxabicyclo(2.2.2)octan-4-amine, N,N-dimethyl-1-(4-ethynylphenyl)- is 134133-92-9.
What is the molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octan-4-amine, N,N-dimethyl-1-(4-ethynylphenyl)-?
The molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octan-4-amine, N,N-dimethyl-1-(4-ethynylphenyl)- is C15H17NO3.
What is the molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octan-4-amine, N,N-dimethyl-1-(4-ethynylphenyl)-?
The molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octan-4-amine, N,N-dimethyl-1-(4-ethynylphenyl)- is 259.12 g/mol.
Where can I buy 2,6,7-Trioxabicyclo(2.2.2)octan-4-amine, N,N-dimethyl-1-(4-ethynylphenyl)-?
You can request a quote for 2,6,7-Trioxabicyclo(2.2.2)octan-4-amine, N,N-dimethyl-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)octan-4-amine, N,N-dimethyl-1-(4-ethynylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,6,7-Trioxabicyclo(2.2.2)octan-4-amine, N,N-dimethyl-1-(4-ethynylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.