metyrapone N-oxide
TL;DR: metyrapone N-oxide (CAS 63473-06-3) is a chemical compound with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-(1-oxidopyridin-1-ium-3-yl)-1-pyridin-3-ylpropan-1-one
Also Known As: Metyrapone N-oxide, metopiron-N-oxid, 1-Propanone, 2-methyl-1,3-di-3-pyridinyl-, N-oxide, 3-[1,1-Dimethyl-2-oxo-2-(3-pyridinyl)ethyl]pyridine 1-oxide, 2-Methyl-2-[3''-(1''-oxopyridyl)]-1-(3'-pyridyl)-propan-1-one
| Molecular Formula | C14H14N2O2 |
|---|---|
| Molecular Weight | 242.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.10553 |
| Heavy Atoms | 18 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 63473-06-3 |
|---|---|
| SMILES | CC(C)(C1=C[N+](=CC=C1)[O-])C(=O)C2=CN=CC=C2 |
| InChIKey | GELOUZMFFBRHFP-UHFFFAOYSA-N |
Product Overview
metyrapone N-oxide (CAS 63473-06-3), with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol. IUPAC: 2-methyl-2-(1-oxidopyridin-1-ium-3-yl)-1-pyridin-3-ylpropan-1-one.
Chemical Property Profile of metyrapone N-oxide
Property Insights of metyrapone N-oxide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for metyrapone N-oxide. With a topological polar surface area (TPSA) of 55.4 Ų, metyrapone N-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, metyrapone 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 metyrapone N-oxide?
The CAS number of metyrapone N-oxide is 63473-06-3.
What is the molecular formula of metyrapone N-oxide?
The molecular formula of metyrapone N-oxide is C14H14N2O2.
What is the molecular weight of metyrapone N-oxide?
The molecular weight of metyrapone N-oxide is 242.11 g/mol.
Where can I buy metyrapone N-oxide?
You can request a quote for metyrapone N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for metyrapone N-oxide?
Yes, KEHONG BIO provides custom synthesis services for metyrapone N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.