2-methyl-1,3,4-benzoxadiazepin-5(4H)-one
TL;DR: 2-methyl-1,3,4-benzoxadiazepin-5(4H)-one (CAS 144760-62-3) is a chemical compound with molecular formula C9H8N2O2 and molecular weight 176.05858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-4H-1,3,4-benzoxadiazepin-5-one
Also Known As: 2-methyl-1,3,4-benzoxadiazepin-5(4H)-one, 2-methyl-4,5-dihydro-1,3,4-benzoxadiazepin-5-one, 2-methyl-4H-1,3,4-benzoxadiazepin-5-one, 2-methyl-4H-benzo[f]1,3,4-oxadiazepin-5-one, 2-methylbenzo[f][1,3,4]oxadiazepin-5(4H)-one
Technical Specifications
| Molecular Formula | C9H8N2O2 |
| Molecular Weight | 176.05858 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.05858 Da |
| Heavy Atoms | 13 |
| Complexity | 250.0 |
| SMILES | CC1=NNC(=O)C2=CC=CC=C2O1 |
| InChIKey | JUAQNGLPECNZPS-UHFFFAOYSA-N |
Chemical Property Profile of 2-methyl-1,3,4-benzoxadiazepin-5(4H)-one
Property Insights of 2-methyl-1,3,4-benzoxadiazepin-5(4H)-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-1,3,4-benzoxadiazepin-5(4H)-one. With a topological polar surface area (TPSA) of 50.7 Ų, 2-methyl-1,3,4-benzoxadiazepin-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methyl-1,3,4-benzoxadiazepin-5(4H)-one has 1 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 2-methyl-1,3,4-benzoxadiazepin-5(4H)-one?
The CAS number of 2-methyl-1,3,4-benzoxadiazepin-5(4H)-one is 144760-62-3.
What is the molecular formula of 2-methyl-1,3,4-benzoxadiazepin-5(4H)-one?
The molecular formula of 2-methyl-1,3,4-benzoxadiazepin-5(4H)-one is C9H8N2O2.
What is the molecular weight of 2-methyl-1,3,4-benzoxadiazepin-5(4H)-one?
The molecular weight of 2-methyl-1,3,4-benzoxadiazepin-5(4H)-one is 176.05858 g/mol.
Where can I buy 2-methyl-1,3,4-benzoxadiazepin-5(4H)-one?
You can request a quote for 2-methyl-1,3,4-benzoxadiazepin-5(4H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-methyl-1,3,4-benzoxadiazepin-5(4H)-one?
Yes, CoreyChem provides custom synthesis services for 2-methyl-1,3,4-benzoxadiazepin-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.