Methyl 1,4-dioxo-2,3-dihydronaphthalene-2-sulfonate,pyridine-3-carboxamide
TL;DR: Methyl 1,4-dioxo-2,3-dihydronaphthalene-2-sulfonate,pyridine-3-carboxamide (CAS 73581-79-0) is a chemical compound with molecular formula C17H16N2O6S and molecular weight 376.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,4-dioxo-2,3-dihydronaphthalene-2-sulfonate;pyridine-3-carboxamide
Also Known As: Menadione nicotinamide bisulfite, 1,2,3,4-tetrahydro-2-methyl-1,4-dioxonaphthalene-2-sulphonic acid, compound with nicotin-3-amide (1, methyl 1,4-dioxo-2,3-dihydronaphthalene-2-sulfonate,pyridine-3-carboxamide, methyl 1,4-dioxo-2,3-dihydronaphthalene-2-sulfonate; pyridine-3-carboxamide, Pyridine-3-carboximidic acid--methyl 1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonate (1/1)
| Molecular Formula | C17H16N2O6S |
|---|---|
| Molecular Weight | 376.07 g/mol |
| LogP | 0.981 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.0729 |
| Heavy Atoms | 26 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 73581-79-0 |
|---|---|
| SMILES | COS(=O)(=O)C1CC(=O)C2=CC=CC=C2C1=O.C1=CC(=CN=C1)C(=O)N |
| InChIKey | RMXKVUXLGPLYON-UHFFFAOYSA-N |
Product Overview
Methyl 1,4-dioxo-2,3-dihydronaphthalene-2-sulfonate,pyridine-3-carboxamide (CAS 73581-79-0), with molecular formula C17H16N2O6S and molecular weight 376.07 g/mol. IUPAC: methyl 1,4-dioxo-2,3-dihydronaphthalene-2-sulfonate;pyridine-3-carboxamide.
Chemical Property Profile of Methyl 1,4-dioxo-2,3-dihydronaphthalene-2-sulfonate,pyridine-3-carboxamide
Property Insights of Methyl 1,4-dioxo-2,3-dihydronaphthalene-2-sulfonate,pyridine-3-carboxamide
The XLogP value of 0.981 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1,4-dioxo-2,3-dihydronaphthalene-2-sulfonate,pyridine-3-carboxamide. The TPSA of 142.0 Ų indicates high polarity, suggesting Methyl 1,4-dioxo-2,3-dihydronaphthalene-2-sulfonate,pyridine-3-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 1,4-dioxo-2,3-dihydronaphthalene-2-sulfonate,pyridine-3-carboxamide has 1 hydrogen bond donor(s) and 7 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 Methyl 1,4-dioxo-2,3-dihydronaphthalene-2-sulfonate,pyridine-3-carboxamide?
The CAS number of Methyl 1,4-dioxo-2,3-dihydronaphthalene-2-sulfonate,pyridine-3-carboxamide is 73581-79-0.
What is the molecular formula of Methyl 1,4-dioxo-2,3-dihydronaphthalene-2-sulfonate,pyridine-3-carboxamide?
The molecular formula of Methyl 1,4-dioxo-2,3-dihydronaphthalene-2-sulfonate,pyridine-3-carboxamide is C17H16N2O6S.
What is the molecular weight of Methyl 1,4-dioxo-2,3-dihydronaphthalene-2-sulfonate,pyridine-3-carboxamide?
The molecular weight of Methyl 1,4-dioxo-2,3-dihydronaphthalene-2-sulfonate,pyridine-3-carboxamide is 376.07 g/mol.
Where can I buy Methyl 1,4-dioxo-2,3-dihydronaphthalene-2-sulfonate,pyridine-3-carboxamide?
You can request a quote for Methyl 1,4-dioxo-2,3-dihydronaphthalene-2-sulfonate,pyridine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1,4-dioxo-2,3-dihydronaphthalene-2-sulfonate,pyridine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1,4-dioxo-2,3-dihydronaphthalene-2-sulfonate,pyridine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.