3-Methyl-3,4-dihydro-2h-1,3-benzoxazine
TL;DR: 3-Methyl-3,4-dihydro-2h-1,3-benzoxazine (CAS 6638-04-6) is a chemical compound with molecular formula C9H11NO and molecular weight 149.08406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-2,4-dihydro-1,3-benzoxazine
Also Known As: 3-Methyl-3,4-dihydro-2H-benzo[e][1,3]oxazine, Fluoxetine Impurity 33, 3-methyl-3,4-dihydro-2h-1,3-benzoxazine, 3-methyl-2,4-dihydro-1,3-benzoxazine, 3,4-dihydro-3-methyl-2h-1,3-benzoxazine
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H11NO |
| Molecular Weight | 149.08406 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 149.08406 Da |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
| SMILES | CN1CC2=CC=CC=C2OC1 |
| InChIKey | ZZLHZRRZJWMQOL-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methyl-3,4-dihydro-2h-1,3-benzoxazine
Property Insights of 3-Methyl-3,4-dihydro-2h-1,3-benzoxazine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-3,4-dihydro-2h-1,3-benzoxazine. With a topological polar surface area (TPSA) of 12.5 Ų, 3-Methyl-3,4-dihydro-2h-1,3-benzoxazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-3,4-dihydro-2h-1,3-benzoxazine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Methyl-3,4-dihydro-2h-1,3-benzoxazine?
The CAS number of 3-Methyl-3,4-dihydro-2h-1,3-benzoxazine is 6638-04-6.
What is the molecular formula of 3-Methyl-3,4-dihydro-2h-1,3-benzoxazine?
The molecular formula of 3-Methyl-3,4-dihydro-2h-1,3-benzoxazine is C9H11NO.
What is the molecular weight of 3-Methyl-3,4-dihydro-2h-1,3-benzoxazine?
The molecular weight of 3-Methyl-3,4-dihydro-2h-1,3-benzoxazine is 149.08406 g/mol.
Where can I buy 3-Methyl-3,4-dihydro-2h-1,3-benzoxazine?
You can request a quote for 3-Methyl-3,4-dihydro-2h-1,3-benzoxazine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methyl-3,4-dihydro-2h-1,3-benzoxazine?
Yes, CoreyChem provides custom synthesis services for 3-Methyl-3,4-dihydro-2h-1,3-benzoxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.