3-Methoxy-4,5,6,7-tetrahydroisoxazolo(4,5-c)pyridine
TL;DR: 3-Methoxy-4,5,6,7-tetrahydroisoxazolo(4,5-c)pyridine (CAS 95579-17-2) is a chemical compound with molecular formula COC1=NOC2=C1CNCC2 and molecular weight 154.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine
Also Known As: O-Me-Thpo, 3-Methoxy-4,5,6,7-tetrahydroisoxazolo(4,5-c)pyridine, 3-methoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine, 3-methoxy-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine, 4,5,6,7-Tetrahydro-3-methoxyisoxazolo[4,5-c]pyridine
| Molecular Formula | COC1=NOC2=C1CNCC2 |
|---|---|
| Molecular Weight | 154.07 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 47.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.07423 |
| Heavy Atoms | 11 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 95579-17-2 |
|---|---|
| SMILES | COC1=NOC2=C1CNCC2 |
| InChIKey | XRVLJKIJKUKQSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methoxy-4,5,6,7-tetrahydroisoxazolo(4,5-c)pyridine (CAS 95579-17-2), with molecular formula COC1=NOC2=C1CNCC2 and molecular weight 154.07 g/mol. IUPAC: 3-methoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine.
Chemical Property Profile of 3-Methoxy-4,5,6,7-tetrahydroisoxazolo(4,5-c)pyridine
Property Insights of 3-Methoxy-4,5,6,7-tetrahydroisoxazolo(4,5-c)pyridine
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-4,5,6,7-tetrahydroisoxazolo(4,5-c)pyridine. With a topological polar surface area (TPSA) of 47.3 Ų, 3-Methoxy-4,5,6,7-tetrahydroisoxazolo(4,5-c)pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxy-4,5,6,7-tetrahydroisoxazolo(4,5-c)pyridine has 1 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 3-Methoxy-4,5,6,7-tetrahydroisoxazolo(4,5-c)pyridine?
The CAS number of 3-Methoxy-4,5,6,7-tetrahydroisoxazolo(4,5-c)pyridine is 95579-17-2.
What is the molecular formula of 3-Methoxy-4,5,6,7-tetrahydroisoxazolo(4,5-c)pyridine?
The molecular formula of 3-Methoxy-4,5,6,7-tetrahydroisoxazolo(4,5-c)pyridine is COC1=NOC2=C1CNCC2.
What is the molecular weight of 3-Methoxy-4,5,6,7-tetrahydroisoxazolo(4,5-c)pyridine?
The molecular weight of 3-Methoxy-4,5,6,7-tetrahydroisoxazolo(4,5-c)pyridine is 154.07 g/mol.
Where can I buy 3-Methoxy-4,5,6,7-tetrahydroisoxazolo(4,5-c)pyridine?
You can request a quote for 3-Methoxy-4,5,6,7-tetrahydroisoxazolo(4,5-c)pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-4,5,6,7-tetrahydroisoxazolo(4,5-c)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-4,5,6,7-tetrahydroisoxazolo(4,5-c)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.