5-Methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one
TL;DR: 5-Methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one (CAS 14527-81-2) is a chemical compound with molecular formula C13H10N2O2 and molecular weight 226.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylpyrido[2,3-b][1,4]benzoxazepin-6-one
Also Known As: 5Me-PBOA-6one, 5-Methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one, 5-methylpyrido[2,3-b][1,4]benzoxazepin-6-one, 5-Methylpyrido[2,3-b][1,4]benzoxazepin-6(5H)-one, 5-Methyl-pyrido[2,3-b][1,4]benzoxazepin-6(5H)-one
| Molecular Formula | C13H10N2O2 |
|---|---|
| Molecular Weight | 226.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 226.07423 |
| Heavy Atoms | 17 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 14527-81-2 |
|---|---|
| SMILES | CN1C2=C(N=CC=C2)OC3=CC=CC=C3C1=O |
| InChIKey | GIALMQGEJXNQRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one (CAS 14527-81-2), with molecular formula C13H10N2O2 and molecular weight 226.07 g/mol. IUPAC: 5-methylpyrido[2,3-b][1,4]benzoxazepin-6-one.
Chemical Property Profile of 5-Methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one
Property Insights of 5-Methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one. With a topological polar surface area (TPSA) of 42.4 Ų, 5-Methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-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 5-Methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one?
The CAS number of 5-Methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one is 14527-81-2.
What is the molecular formula of 5-Methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one?
The molecular formula of 5-Methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one is C13H10N2O2.
What is the molecular weight of 5-Methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one?
The molecular weight of 5-Methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one is 226.07 g/mol.
Where can I buy 5-Methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one?
You can request a quote for 5-Methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.