AP-853/41872913
TL;DR: AP-853/41872913 (CAS 663168-49-8) is a chemical compound with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dimethylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Also Known As: AP-853/41872913, N-(3,5-dimethylphenyl)-3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)propanamide, F2749-0190, N-(3,5-dimethylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide, N-(3,5-dimethylphenyl)-3-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)propanamide
| Molecular Formula | C18H18N2O4S |
|---|---|
| Molecular Weight | 358.10 g/mol |
| LogP | 2.47674 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.09872 |
| Heavy Atoms | 25 |
| Complexity | 946.5414 |
Chemical Identifiers
| CAS Number | 663168-49-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O)C |
Product Overview
AP-853/41872913 (CAS 663168-49-8), with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol. IUPAC: N-(3,5-dimethylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.
Chemical Property Profile of AP-853/41872913
Property Insights of AP-853/41872913
The XLogP value of 2.47674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AP-853/41872913. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-853/41872913. Following Lipinski's Rule of Five, AP-853/41872913 has 1 hydrogen bond donor(s) and 4 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-853/41872913?
The CAS number of AP-853/41872913 is 663168-49-8.
What is the molecular formula of AP-853/41872913?
The molecular formula of AP-853/41872913 is C18H18N2O4S.
What is the molecular weight of AP-853/41872913?
The molecular weight of AP-853/41872913 is 358.10 g/mol.
Where can I buy AP-853/41872913?
You can request a quote for AP-853/41872913 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-853/41872913?
Yes, KEHONG BIO provides custom synthesis services for AP-853/41872913 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.