2-Pyridin-4-yl-3,1-benzoxazin-4-one
TL;DR: 2-Pyridin-4-yl-3,1-benzoxazin-4-one (CAS 57696-11-4) is a chemical compound with molecular formula C13H8N2O2 and molecular weight 224.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyridin-4-yl-3,1-benzoxazin-4-one
Also Known As: 2-pyridin-4-yl-3,1-benzoxazin-4-one, 2-(4-pyridinyl)-4H-3,1-benzoxazin-4-one, 3-METHOXY-4-N-PROPOXYBENZALDEHYDE, 2-pyridin-4-yl-benzo[d][1,3]oxazin-4-one, 2-(pyridin-4-yl)-4H-benzo[d][1,3]oxazin-4-one
| Molecular Formula | C13H8N2O2 |
|---|---|
| Molecular Weight | 224.06 g/mol |
| LogP | 2.25 |
| Topological Polar Surface Area | 55.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.05858 |
| Heavy Atoms | 17 |
| Complexity | 720.07104 |
Chemical Identifiers
| CAS Number | 57696-11-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC=NC=C3 |
Product Overview
2-Pyridin-4-yl-3,1-benzoxazin-4-one (CAS 57696-11-4), with molecular formula C13H8N2O2 and molecular weight 224.06 g/mol. IUPAC: 2-pyridin-4-yl-3,1-benzoxazin-4-one.
Chemical Property Profile of 2-Pyridin-4-yl-3,1-benzoxazin-4-one
Property Insights of 2-Pyridin-4-yl-3,1-benzoxazin-4-one
The XLogP value of 2.25 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyridin-4-yl-3,1-benzoxazin-4-one. With a topological polar surface area (TPSA) of 55.99 Ų, 2-Pyridin-4-yl-3,1-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyridin-4-yl-3,1-benzoxazin-4-one has 0 hydrogen bond donor(s) and 4 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-Pyridin-4-yl-3,1-benzoxazin-4-one?
The CAS number of 2-Pyridin-4-yl-3,1-benzoxazin-4-one is 57696-11-4.
What is the molecular formula of 2-Pyridin-4-yl-3,1-benzoxazin-4-one?
The molecular formula of 2-Pyridin-4-yl-3,1-benzoxazin-4-one is C13H8N2O2.
What is the molecular weight of 2-Pyridin-4-yl-3,1-benzoxazin-4-one?
The molecular weight of 2-Pyridin-4-yl-3,1-benzoxazin-4-one is 224.06 g/mol.
Where can I buy 2-Pyridin-4-yl-3,1-benzoxazin-4-one?
You can request a quote for 2-Pyridin-4-yl-3,1-benzoxazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyridin-4-yl-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyridin-4-yl-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.