2-Cyano-7,9,10-trimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one
TL;DR: 2-Cyano-7,9,10-trimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one (CAS 140413-05-4) is a chemical compound with molecular formula C17H14N2O2 and molecular weight 278.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,5-trimethyl-6-oxobenzo[b][1,4]benzoxazepine-8-carbonitrile
Also Known As: Dibenzoxazepinone 43, 2CN-7,9,10triMe-DBOA-11one, 2-Cyano-7,9,10-trimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one, 2,4,5-trimethyl-6-oxo-benzo[b][1,4]benzoxazepine-8-carbonitrile, 2,4,5-trimethyl-6-oxobenzo[b][1,4]benzoxazepine-8-carbonitrile
| Molecular Formula | C17H14N2O2 |
|---|---|
| Molecular Weight | 278.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 278.10553 |
| Heavy Atoms | 21 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 140413-05-4 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)OC3=C(C=C(C=C3)C#N)C(=O)N2C)C |
| InChIKey | WUKFGTRLGMGCPE-UHFFFAOYSA-N |
Product Overview
2-Cyano-7,9,10-trimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one (CAS 140413-05-4), with molecular formula C17H14N2O2 and molecular weight 278.11 g/mol. IUPAC: 2,4,5-trimethyl-6-oxobenzo[b][1,4]benzoxazepine-8-carbonitrile.
Chemical Property Profile of 2-Cyano-7,9,10-trimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one
Property Insights of 2-Cyano-7,9,10-trimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one
The XLogP value of 3.0 indicates that 2-Cyano-7,9,10-trimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.3 Ų, 2-Cyano-7,9,10-trimethyl-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-7,9,10-trimethyl-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-7,9,10-trimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one?
The CAS number of 2-Cyano-7,9,10-trimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one is 140413-05-4.
What is the molecular formula of 2-Cyano-7,9,10-trimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one?
The molecular formula of 2-Cyano-7,9,10-trimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one is C17H14N2O2.
What is the molecular weight of 2-Cyano-7,9,10-trimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one?
The molecular weight of 2-Cyano-7,9,10-trimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one is 278.11 g/mol.
Where can I buy 2-Cyano-7,9,10-trimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one?
You can request a quote for 2-Cyano-7,9,10-trimethyl-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-7,9,10-trimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-7,9,10-trimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.