2-Cyano-10-methyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one
TL;DR: 2-Cyano-10-methyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one (CAS 140412-85-7) is a chemical compound with molecular formula C15H10N2O2 and molecular weight 250.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-6-oxobenzo[b][1,4]benzoxazepine-8-carbonitrile
Also Known As: 2CN-10Me-DBOA-11one, 2-Cyano-10-methyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one, 2-Cyano-10-methyldibenz[b,f][1,4]oxazepin-11(10H)-one, 5-methyl-6-oxo-benzo[b][1,4]benzoxazepine-8-carbonitrile, 5-methyl-6-oxobenzo[b][1,4]benzoxazepine-8-carbonitrile
| Molecular Formula | C15H10N2O2 |
|---|---|
| Molecular Weight | 250.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 250.07423 |
| Heavy Atoms | 19 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 140412-85-7 |
|---|---|
| SMILES | CN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)C#N |
| InChIKey | NPEWZBSVIATWLX-UHFFFAOYSA-N |
Product Overview
2-Cyano-10-methyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one (CAS 140412-85-7), with molecular formula C15H10N2O2 and molecular weight 250.07 g/mol. IUPAC: 5-methyl-6-oxobenzo[b][1,4]benzoxazepine-8-carbonitrile.
Chemical Property Profile of 2-Cyano-10-methyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one
Property Insights of 2-Cyano-10-methyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-10-methyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one. With a topological polar surface area (TPSA) of 53.3 Ų, 2-Cyano-10-methyl-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-10-methyl-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
Frequently Asked Questions
What is the CAS number of 2-Cyano-10-methyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one?
The CAS number of 2-Cyano-10-methyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one is 140412-85-7.
What is the molecular formula of 2-Cyano-10-methyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one?
The molecular formula of 2-Cyano-10-methyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one is C15H10N2O2.
What is the molecular weight of 2-Cyano-10-methyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one?
The molecular weight of 2-Cyano-10-methyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one is 250.07 g/mol.
Where can I buy 2-Cyano-10-methyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one?
You can request a quote for 2-Cyano-10-methyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-10-methyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-10-methyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.