7,9-Dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one
TL;DR: 7,9-Dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one (CAS 140413-03-2) is a chemical compound with molecular formula C15H13NO2 and molecular weight 239.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethyl-5H-benzo[b][1,4]benzoxazepin-6-one
Also Known As: 7,9diMe-DBOA-11one, 7,9-Dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one, 2,4-dimethyl-5H-benzo[b][1,4]benzoxazepin-6-one, 7,9-Dimethyldibenz[b,f][1,4]oxazepin-11(10H)-one, 7,9-Dimethyl-dibenz[b,f][1,4]oxazepin-11-(10H)-one
| Molecular Formula | C15H13NO2 |
|---|---|
| Molecular Weight | 239.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 239.09464 |
| Heavy Atoms | 18 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 140413-03-2 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)OC3=CC=CC=C3C(=O)N2)C |
| InChIKey | IAFXPIJYENPJFC-UHFFFAOYSA-N |
Product Overview
7,9-Dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one (CAS 140413-03-2), with molecular formula C15H13NO2 and molecular weight 239.09 g/mol. IUPAC: 2,4-dimethyl-5H-benzo[b][1,4]benzoxazepin-6-one.
Chemical Property Profile of 7,9-Dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one
Property Insights of 7,9-Dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one
The XLogP value of 3.1 indicates that 7,9-Dimethyl-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 38.3 Ų, 7,9-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, 7,9-Dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one has 1 hydrogen bond donor(s) and 2 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 7,9-Dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one?
The CAS number of 7,9-Dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one is 140413-03-2.
What is the molecular formula of 7,9-Dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one?
The molecular formula of 7,9-Dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one is C15H13NO2.
What is the molecular weight of 7,9-Dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one?
The molecular weight of 7,9-Dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one is 239.09 g/mol.
Where can I buy 7,9-Dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one?
You can request a quote for 7,9-Dimethyl-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 7,9-Dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7,9-Dimethyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.