9-Methoxy-5-methyl-3,4,4a,5,6,7-hexahydro-1,2-benzisoxazolo(5,4,3-def)quinoline
TL;DR: 9-Methoxy-5-methyl-3,4,4a,5,6,7-hexahydro-1,2-benzisoxazolo(5,4,3-def)quinoline (CAS 41829-11-2) is a chemical compound with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-methoxy-5-methyl-12-oxa-5,13-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),8,10,14-tetraene
Also Known As: 9-Methoxy-5-methyl-3,4,4a,5,6,7-hexahydro-1,2-benzisoxazolo(5,4,3-def)quinoline, 1,2-Benzisoxazolo(5,4,3-def)quinoline, 3,4,4a,5,6,7-hexahydro-9-methoxy-5-methyl-, 3,4,4a,5,6,7-Hexahydro-9-methoxy-5-methyl-1,2-benzisoxazolo(5,4,3a,3-def)-chinolin [German], 3,4,4a,5,6,7-Hexahydro-9-methoxy-5-methyl-1,2-benzisoxazolo(5,4,3a,3-def)-chinolin, 9-Methoxy-5-methyl-3,4,4a,5,6,7-hexahydro[1,2]benzoxazolo[5,4,3-def]quinoline
| Molecular Formula | C14H16N2O2 |
|---|---|
| Molecular Weight | 244.12 g/mol |
| LogP | 2.3116 |
| Topological Polar Surface Area | 38.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.12119 |
| Heavy Atoms | 18 |
| Complexity | 632.246 |
Chemical Identifiers
| CAS Number | 41829-11-2 |
|---|---|
| SMILES | CN1CCC2=CC(=C3C4=C2C1CCC4=NO3)OC |
Product Overview
9-Methoxy-5-methyl-3,4,4a,5,6,7-hexahydro-1,2-benzisoxazolo(5,4,3-def)quinoline (CAS 41829-11-2), with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol. IUPAC: 10-methoxy-5-methyl-12-oxa-5,13-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),8,10,14-tetraene.
Chemical Property Profile of 9-Methoxy-5-methyl-3,4,4a,5,6,7-hexahydro-1,2-benzisoxazolo(5,4,3-def)quinoline
Property Insights of 9-Methoxy-5-methyl-3,4,4a,5,6,7-hexahydro-1,2-benzisoxazolo(5,4,3-def)quinoline
The XLogP value of 2.3116 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Methoxy-5-methyl-3,4,4a,5,6,7-hexahydro-1,2-benzisoxazolo(5,4,3-def)quinoline. With a topological polar surface area (TPSA) of 38.5 Ų, 9-Methoxy-5-methyl-3,4,4a,5,6,7-hexahydro-1,2-benzisoxazolo(5,4,3-def)quinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Methoxy-5-methyl-3,4,4a,5,6,7-hexahydro-1,2-benzisoxazolo(5,4,3-def)quinoline 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 9-Methoxy-5-methyl-3,4,4a,5,6,7-hexahydro-1,2-benzisoxazolo(5,4,3-def)quinoline?
The CAS number of 9-Methoxy-5-methyl-3,4,4a,5,6,7-hexahydro-1,2-benzisoxazolo(5,4,3-def)quinoline is 41829-11-2.
What is the molecular formula of 9-Methoxy-5-methyl-3,4,4a,5,6,7-hexahydro-1,2-benzisoxazolo(5,4,3-def)quinoline?
The molecular formula of 9-Methoxy-5-methyl-3,4,4a,5,6,7-hexahydro-1,2-benzisoxazolo(5,4,3-def)quinoline is C14H16N2O2.
What is the molecular weight of 9-Methoxy-5-methyl-3,4,4a,5,6,7-hexahydro-1,2-benzisoxazolo(5,4,3-def)quinoline?
The molecular weight of 9-Methoxy-5-methyl-3,4,4a,5,6,7-hexahydro-1,2-benzisoxazolo(5,4,3-def)quinoline is 244.12 g/mol.
Where can I buy 9-Methoxy-5-methyl-3,4,4a,5,6,7-hexahydro-1,2-benzisoxazolo(5,4,3-def)quinoline?
You can request a quote for 9-Methoxy-5-methyl-3,4,4a,5,6,7-hexahydro-1,2-benzisoxazolo(5,4,3-def)quinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Methoxy-5-methyl-3,4,4a,5,6,7-hexahydro-1,2-benzisoxazolo(5,4,3-def)quinoline?
Yes, KEHONG BIO provides custom synthesis services for 9-Methoxy-5-methyl-3,4,4a,5,6,7-hexahydro-1,2-benzisoxazolo(5,4,3-def)quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.