![N-(2-oxobenzo[d][1,3]oxathiol-5-yl)-N-tosylisonicotinamide structure](/static/products/881/881293-86-3.png)
N-(2-oxobenzo[d][1,3]oxathiol-5-yl)-N-tosylisonicotinamide
TL;DR: N-(2-oxobenzo[d][1,3]oxathiol-5-yl)-N-tosylisonicotinamide (CAS 881293-86-3) is a chemical compound with molecular formula C20H14N2O5S2 and molecular weight 426.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methylphenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)pyridine-4-carboxamide
Also Known As: F1669-1105, N-(2-oxobenzo[d][1,3]oxathiol-5-yl)-N-tosylisonicotinamide, N-(4-methylbenzenesulfonyl)-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)pyridine-4-carboxamide, N-(4-methylphenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)pyridine-4-carboxamide, oxo[(2-oxo-2H-1,3-benzoxathiol-5-yl)isonicotinoylamino]-p-tolyl-lambda-sulfaniumolate
| Molecular Formula | C20H14N2O5S2 |
|---|---|
| Molecular Weight | 426.03 g/mol |
| LogP | 3.59362 |
| Topological Polar Surface Area | 97.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.03442 |
| Heavy Atoms | 29 |
| Complexity | 1357.5311 |
Chemical Identifiers
| CAS Number | 881293-86-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC3=C(C=C2)OC(=O)S3)C(=O)C4=CC=NC=C4 |
Product Overview
N-(2-oxobenzo[d][1,3]oxathiol-5-yl)-N-tosylisonicotinamide (CAS 881293-86-3), with molecular formula C20H14N2O5S2 and molecular weight 426.03 g/mol. IUPAC: N-(4-methylphenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)pyridine-4-carboxamide.
Chemical Property Profile of N-(2-oxobenzo[d][1,3]oxathiol-5-yl)-N-tosylisonicotinamide
Property Insights of N-(2-oxobenzo[d][1,3]oxathiol-5-yl)-N-tosylisonicotinamide
The XLogP value of 3.59362 indicates that N-(2-oxobenzo[d][1,3]oxathiol-5-yl)-N-tosylisonicotinamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.55 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-oxobenzo[d][1,3]oxathiol-5-yl)-N-tosylisonicotinamide. Following Lipinski's Rule of Five, N-(2-oxobenzo[d][1,3]oxathiol-5-yl)-N-tosylisonicotinamide has 0 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 N-(2-oxobenzo[d][1,3]oxathiol-5-yl)-N-tosylisonicotinamide?
The CAS number of N-(2-oxobenzo[d][1,3]oxathiol-5-yl)-N-tosylisonicotinamide is 881293-86-3.
What is the molecular formula of N-(2-oxobenzo[d][1,3]oxathiol-5-yl)-N-tosylisonicotinamide?
The molecular formula of N-(2-oxobenzo[d][1,3]oxathiol-5-yl)-N-tosylisonicotinamide is C20H14N2O5S2.
What is the molecular weight of N-(2-oxobenzo[d][1,3]oxathiol-5-yl)-N-tosylisonicotinamide?
The molecular weight of N-(2-oxobenzo[d][1,3]oxathiol-5-yl)-N-tosylisonicotinamide is 426.03 g/mol.
Where can I buy N-(2-oxobenzo[d][1,3]oxathiol-5-yl)-N-tosylisonicotinamide?
You can request a quote for N-(2-oxobenzo[d][1,3]oxathiol-5-yl)-N-tosylisonicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-oxobenzo[d][1,3]oxathiol-5-yl)-N-tosylisonicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-oxobenzo[d][1,3]oxathiol-5-yl)-N-tosylisonicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.