Coumarin, 3-(3-pyridyl)-, N-oxide
TL;DR: Coumarin, 3-(3-pyridyl)-, N-oxide (CAS 958-55-4) is a chemical compound with molecular formula C14H9NO3 and molecular weight 239.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-oxidopyridin-1-ium-3-yl)chromen-2-one
Also Known As: 3-(3-Pyridyl)coumarin N-oxide, COUMARIN, 3-(3-PYRIDYL)-, N-OXIDE, 3-(1-oxidopyridin-1-ium-3-yl)chromen-2-one, 3-(2-Oxo-2H-1-benzopyran-3-yl)pyridine 1-oxide, 3-(2-oxo-2H-chromen-3-yl)pyridin-1-ium-1-olate
| Molecular Formula | C14H9NO3 |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.05824 |
| Heavy Atoms | 18 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 958-55-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C3=C[N+](=CC=C3)[O-] |
| InChIKey | JQUCVNISFSPHEZ-UHFFFAOYSA-N |
Product Overview
Coumarin, 3-(3-pyridyl)-, N-oxide (CAS 958-55-4), with molecular formula C14H9NO3 and molecular weight 239.06 g/mol. IUPAC: 3-(1-oxidopyridin-1-ium-3-yl)chromen-2-one.
Chemical Property Profile of Coumarin, 3-(3-pyridyl)-, N-oxide
Property Insights of Coumarin, 3-(3-pyridyl)-, N-oxide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coumarin, 3-(3-pyridyl)-, N-oxide. With a topological polar surface area (TPSA) of 51.8 Ų, Coumarin, 3-(3-pyridyl)-, N-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Coumarin, 3-(3-pyridyl)-, N-oxide 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 Coumarin, 3-(3-pyridyl)-, N-oxide?
The CAS number of Coumarin, 3-(3-pyridyl)-, N-oxide is 958-55-4.
What is the molecular formula of Coumarin, 3-(3-pyridyl)-, N-oxide?
The molecular formula of Coumarin, 3-(3-pyridyl)-, N-oxide is C14H9NO3.
What is the molecular weight of Coumarin, 3-(3-pyridyl)-, N-oxide?
The molecular weight of Coumarin, 3-(3-pyridyl)-, N-oxide is 239.06 g/mol.
Where can I buy Coumarin, 3-(3-pyridyl)-, N-oxide?
You can request a quote for Coumarin, 3-(3-pyridyl)-, N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin, 3-(3-pyridyl)-, N-oxide?
Yes, KEHONG BIO provides custom synthesis services for Coumarin, 3-(3-pyridyl)-, N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.