(6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) adamantane-1-carboxylate
TL;DR: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) adamantane-1-carboxylate (CAS 868679-46-3) is a chemical compound with molecular formula C17H20N2O5 and molecular weight 332.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) adamantane-1-carboxylate
Also Known As: AB00676212-01, F1826-0019, (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) adamantane-1-carboxylate, 6-methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl adamantane-1-carboxylate, (3r,5r,7r)-6-methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl adamantane-1-carboxylate
| Molecular Formula | C17H20N2O5 |
|---|---|
| Molecular Weight | 332.14 g/mol |
| LogP | 2.71332 |
| Topological Polar Surface Area | 102.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.1372 |
| Heavy Atoms | 24 |
| Complexity | 746.39166 |
Chemical Identifiers
| CAS Number | 868679-46-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C23CC4CC(C2)CC(C4)C3 |
Product Overview
(6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) adamantane-1-carboxylate (CAS 868679-46-3), with molecular formula C17H20N2O5 and molecular weight 332.14 g/mol. IUPAC: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) adamantane-1-carboxylate.
Chemical Property Profile of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) adamantane-1-carboxylate
Property Insights of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) adamantane-1-carboxylate
The XLogP value of 2.71332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) adamantane-1-carboxylate. The TPSA of 102.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) adamantane-1-carboxylate. Following Lipinski's Rule of Five, (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) adamantane-1-carboxylate has 1 hydrogen bond donor(s) and 5 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 (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) adamantane-1-carboxylate?
The CAS number of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) adamantane-1-carboxylate is 868679-46-3.
What is the molecular formula of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) adamantane-1-carboxylate?
The molecular formula of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) adamantane-1-carboxylate is C17H20N2O5.
What is the molecular weight of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) adamantane-1-carboxylate?
The molecular weight of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) adamantane-1-carboxylate is 332.14 g/mol.
Where can I buy (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) adamantane-1-carboxylate?
You can request a quote for (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) adamantane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) adamantane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) adamantane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.