2-Cyano-7,10-dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one
TL;DR: 2-Cyano-7,10-dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one (CAS 140413-02-1) is a chemical compound with molecular formula C16H12N2O2 and molecular weight 264.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepine-8-carbonitrile
Also Known As: Dibenzoxazepinone 40, 2CN-7,10diMe-DBOA-11one, 2-Cyano-7,10-dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one, 2,5-dimethyl-6-oxo-benzo[b][1,4]benzoxazepine-8-carbonitrile, 2,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepine-8-carbonitrile
Technical Specifications
| Molecular Formula | C16H12N2O2 |
| Molecular Weight | 264.08987 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 264.08987 Da |
| Heavy Atoms | 20 |
| Complexity | 441.0 |
| SMILES | CC1=CC2=C(C=C1)N(C(=O)C3=C(O2)C=CC(=C3)C#N)C |
| InChIKey | PDWANTHUWHWFIR-UHFFFAOYSA-N |
Chemical Property Profile of 2-Cyano-7,10-dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one
Property Insights of 2-Cyano-7,10-dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-7,10-dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one. With a topological polar surface area (TPSA) of 53.3 Ų, 2-Cyano-7,10-dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyano-7,10-dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one 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 2-Cyano-7,10-dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one?
The CAS number of 2-Cyano-7,10-dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one is 140413-02-1.
What is the molecular formula of 2-Cyano-7,10-dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one?
The molecular formula of 2-Cyano-7,10-dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one is C16H12N2O2.
What is the molecular weight of 2-Cyano-7,10-dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one?
The molecular weight of 2-Cyano-7,10-dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one is 264.08987 g/mol.
Where can I buy 2-Cyano-7,10-dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one?
You can request a quote for 2-Cyano-7,10-dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Cyano-7,10-dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one?
Yes, CoreyChem provides custom synthesis services for 2-Cyano-7,10-dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.