AP-853/42000788
TL;DR: AP-853/42000788 (CAS 663168-16-9) is a chemical compound with molecular formula C16H16N2O4S2 and molecular weight 364.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-5-ethylthiophene-3-carboxylate
Also Known As: AP-853/42000788, ethyl 2-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-5-ethylthiophene-3-carboxylate, ethyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-5-ethylthiophene-3-carboxylate, ethyl 2-((1,1-dioxidobenzo[d]isothiazol-3(2H)-ylidene)amino)-5-ethylthiophene-3-carboxylate, ethyl 2-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]-5-ethyl-3-thiophenecarboxylate
| Molecular Formula | C16H16N2O4S2 |
|---|---|
| Molecular Weight | 364.06 g/mol |
| LogP | 3.0482 |
| Topological Polar Surface Area | 84.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.05515 |
| Heavy Atoms | 24 |
| Complexity | 929.3041 |
Chemical Identifiers
| CAS Number | 663168-16-9 |
|---|---|
| SMILES | CCC1=CC(=C(S1)NC2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OCC |
Product Overview
AP-853/42000788 (CAS 663168-16-9), with molecular formula C16H16N2O4S2 and molecular weight 364.06 g/mol. IUPAC: ethyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-5-ethylthiophene-3-carboxylate.
Chemical Property Profile of AP-853/42000788
Property Insights of AP-853/42000788
The XLogP value of 3.0482 indicates that AP-853/42000788 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.83 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-853/42000788. Following Lipinski's Rule of Five, AP-853/42000788 has 1 hydrogen bond donor(s) and 6 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-853/42000788?
The CAS number of AP-853/42000788 is 663168-16-9.
What is the molecular formula of AP-853/42000788?
The molecular formula of AP-853/42000788 is C16H16N2O4S2.
What is the molecular weight of AP-853/42000788?
The molecular weight of AP-853/42000788 is 364.06 g/mol.
Where can I buy AP-853/42000788?
You can request a quote for AP-853/42000788 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-853/42000788?
Yes, KEHONG BIO provides custom synthesis services for AP-853/42000788 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.