5-(Oxiran-2-ylmethoxy)isoquinoline
TL;DR: 5-(Oxiran-2-ylmethoxy)isoquinoline (CAS 129717-29-9) is a chemical compound with molecular formula C12H11NO2 and molecular weight 201.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(oxiran-2-ylmethoxy)isoquinoline
Also Known As: 5-(oxiran-2-ylmethoxy)isoquinoline, 5-[(oxiran-2-yl)methoxy]isoquinoline
Technical Specifications
| Molecular Formula | C12H11NO2 |
| Molecular Weight | 201.07898 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 34.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.07898 Da |
| Heavy Atoms | 15 |
| Complexity | 222.0 |
| SMILES | C1C(O1)COC2=CC=CC3=C2C=CN=C3 |
| InChIKey | HQMJNOFHNIQORU-UHFFFAOYSA-N |
Chemical Property Profile of 5-(Oxiran-2-ylmethoxy)isoquinoline
Property Insights of 5-(Oxiran-2-ylmethoxy)isoquinoline
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Oxiran-2-ylmethoxy)isoquinoline. With a topological polar surface area (TPSA) of 34.7 Ų, 5-(Oxiran-2-ylmethoxy)isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Oxiran-2-ylmethoxy)isoquinoline 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
What is the CAS number of 5-(Oxiran-2-ylmethoxy)isoquinoline?
The CAS number of 5-(Oxiran-2-ylmethoxy)isoquinoline is 129717-29-9.
What is the molecular formula of 5-(Oxiran-2-ylmethoxy)isoquinoline?
The molecular formula of 5-(Oxiran-2-ylmethoxy)isoquinoline is C12H11NO2.
What is the molecular weight of 5-(Oxiran-2-ylmethoxy)isoquinoline?
The molecular weight of 5-(Oxiran-2-ylmethoxy)isoquinoline is 201.07898 g/mol.
Where can I buy 5-(Oxiran-2-ylmethoxy)isoquinoline?
You can request a quote for 5-(Oxiran-2-ylmethoxy)isoquinoline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(Oxiran-2-ylmethoxy)isoquinoline?
Yes, CoreyChem provides custom synthesis services for 5-(Oxiran-2-ylmethoxy)isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.