5-(2-Methylpropyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one
TL;DR: 5-(2-Methylpropyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one (CAS 14417-38-0) is a chemical compound with molecular formula C16H16N2O2 and molecular weight 268.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-methylpropyl)pyrido[2,3-b][1,4]benzoxazepin-6-one
Also Known As: 5(2MePr)-PBOA-6one, 5-(2-Methylpropyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one, 5-isobutylpyrido[2,3-b][1,4]benzoxazepin-6-one, 5-(2-Methylpropyl)pyrido[2,3-b][1,4]benzoxazepin-6(5H)-one, 5-(2-methylpropyl)pyrido[2,3-b][1,4]benzoxazepin-6-one
| Molecular Formula | C16H16N2O2 |
|---|---|
| Molecular Weight | 268.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.1212 |
| Heavy Atoms | 20 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 14417-38-0 |
|---|---|
| SMILES | CC(C)CN1C2=C(N=CC=C2)OC3=CC=CC=C3C1=O |
| InChIKey | VOQTUNKCPVUZDT-UHFFFAOYSA-N |
Product Overview
5-(2-Methylpropyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one (CAS 14417-38-0), with molecular formula C16H16N2O2 and molecular weight 268.12 g/mol. IUPAC: 5-(2-methylpropyl)pyrido[2,3-b][1,4]benzoxazepin-6-one.
Chemical Property Profile of 5-(2-Methylpropyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one
Property Insights of 5-(2-Methylpropyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one
The XLogP value of 3.1 indicates that 5-(2-Methylpropyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 5-(2-Methylpropyl)-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-(2-Methylpropyl)-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-(2-Methylpropyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one?
The CAS number of 5-(2-Methylpropyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one is 14417-38-0.
What is the molecular formula of 5-(2-Methylpropyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one?
The molecular formula of 5-(2-Methylpropyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one is C16H16N2O2.
What is the molecular weight of 5-(2-Methylpropyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one?
The molecular weight of 5-(2-Methylpropyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one is 268.12 g/mol.
Where can I buy 5-(2-Methylpropyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one?
You can request a quote for 5-(2-Methylpropyl)-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-(2-Methylpropyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Methylpropyl)-pyrido(2,3-b)(1,4)benzoxazepin-6(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.