AP-853/43338108
TL;DR: AP-853/43338108 (CAS 568550-83-4) is a chemical compound with molecular formula C17H16N2O4S2 and molecular weight 376.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AP-853/43338108, Methyl 2-((1,1-dioxidobenzo[d]isothiazol-3(2h)-ylidene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C17H16N2O4S2 |
|---|---|
| Molecular Weight | 376.06 g/mol |
| LogP | 2.9745 |
| Topological Polar Surface Area | 84.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 376.05515 |
| Heavy Atoms | 25 |
| Complexity | 1005.6503 |
Chemical Identifiers
| CAS Number | 568550-83-4 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC3=NS(=O)(=O)C4=CC=CC=C43 |
Product Overview
AP-853/43338108 (CAS 568550-83-4), with molecular formula C17H16N2O4S2 and molecular weight 376.06 g/mol. IUPAC: methyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AP-853/43338108
Property Insights of AP-853/43338108
The XLogP value of 2.9745 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AP-853/43338108. The TPSA of 84.83 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-853/43338108. Following Lipinski's Rule of Five, AP-853/43338108 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-853/43338108?
The CAS number of AP-853/43338108 is 568550-83-4.
What is the molecular formula of AP-853/43338108?
The molecular formula of AP-853/43338108 is C17H16N2O4S2.
What is the molecular weight of AP-853/43338108?
The molecular weight of AP-853/43338108 is 376.06 g/mol.
Where can I buy AP-853/43338108?
You can request a quote for AP-853/43338108 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-853/43338108?
Yes, KEHONG BIO provides custom synthesis services for AP-853/43338108 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.