AP-853/43115861
TL;DR: AP-853/43115861 (CAS 831235-72-4) is a chemical compound with molecular formula C21H19N3O4S2 and molecular weight 441.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methylbenzenesulfonamide
Also Known As: AP-853/43115861, N-benzyl-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methylbenzenesulfonamide, N-benzyl-4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]-N-methylbenzenesulfonamide, N-benzyl-4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-N-methylbenzenesulfonamide
| Molecular Formula | C21H19N3O4S2 |
|---|---|
| Molecular Weight | 441.08 g/mol |
| LogP | 3.0683 |
| Topological Polar Surface Area | 95.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.0817 |
| Heavy Atoms | 30 |
| Complexity | 1318.1792 |
Chemical Identifiers
| CAS Number | 831235-72-4 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC3=NS(=O)(=O)C4=CC=CC=C43 |
Product Overview
AP-853/43115861 (CAS 831235-72-4), with molecular formula C21H19N3O4S2 and molecular weight 441.08 g/mol. IUPAC: N-benzyl-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methylbenzenesulfonamide.
Chemical Property Profile of AP-853/43115861
Property Insights of AP-853/43115861
The XLogP value of 3.0683 indicates that AP-853/43115861 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-853/43115861. Following Lipinski's Rule of Five, AP-853/43115861 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 AP-853/43115861?
The CAS number of AP-853/43115861 is 831235-72-4.
What is the molecular formula of AP-853/43115861?
The molecular formula of AP-853/43115861 is C21H19N3O4S2.
What is the molecular weight of AP-853/43115861?
The molecular weight of AP-853/43115861 is 441.08 g/mol.
Where can I buy AP-853/43115861?
You can request a quote for AP-853/43115861 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-853/43115861?
Yes, KEHONG BIO provides custom synthesis services for AP-853/43115861 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.