AP-853/42158628
TL;DR: AP-853/42158628 (CAS 663200-15-5) 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]-4,5-dimethylthiophene-3-carboxylate
Also Known As: AP-853/42158628, ethyl 2-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]-4,5-dimethyl-3-thiophenecarboxylate, ethyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4,5-dimethylthiophene-3-carboxylate, ethyl 2-((1,1-dioxidobenzo[d]isothiazol-3(2H)-ylidene)amino)-4,5-dimethylthiophene-3-carboxylate, ethyl 2-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C16H16N2O4S2 |
|---|---|
| Molecular Weight | 364.06 g/mol |
| LogP | 3.10264 |
| Topological Polar Surface Area | 84.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.05515 |
| Heavy Atoms | 24 |
| Complexity | 958.4522 |
Chemical Identifiers
| CAS Number | 663200-15-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC2=NS(=O)(=O)C3=CC=CC=C32 |
Product Overview
AP-853/42158628 (CAS 663200-15-5), with molecular formula C16H16N2O4S2 and molecular weight 364.06 g/mol. IUPAC: ethyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of AP-853/42158628
Property Insights of AP-853/42158628
The XLogP value of 3.10264 indicates that AP-853/42158628 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-853/42158628. Following Lipinski's Rule of Five, AP-853/42158628 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-853/42158628?
The CAS number of AP-853/42158628 is 663200-15-5.
What is the molecular formula of AP-853/42158628?
The molecular formula of AP-853/42158628 is C16H16N2O4S2.
What is the molecular weight of AP-853/42158628?
The molecular weight of AP-853/42158628 is 364.06 g/mol.
Where can I buy AP-853/42158628?
You can request a quote for AP-853/42158628 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-853/42158628?
Yes, KEHONG BIO provides custom synthesis services for AP-853/42158628 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.