AP-853/42423560
TL;DR: AP-853/42423560 (CAS 701231-70-1) is a chemical compound with molecular formula C18H16N2O6S2 and molecular weight 420.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Also Known As: AP-853/42423560, 2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid, 2-(2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid, 2-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid, 2-[2-(1,1,3-TRIOXO-1??,2-BENZOTHIAZOL-2-YL)ACETAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLIC ACID
| Molecular Formula | C18H16N2O6S2 |
|---|---|
| Molecular Weight | 420.04 g/mol |
| LogP | 2.1083 |
| Topological Polar Surface Area | 120.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.04498 |
| Heavy Atoms | 28 |
| Complexity | 1119.0908 |
Chemical Identifiers
| CAS Number | 701231-70-1 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O)C(=O)O |
Product Overview
AP-853/42423560 (CAS 701231-70-1), with molecular formula C18H16N2O6S2 and molecular weight 420.04 g/mol. IUPAC: 2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid.
Chemical Property Profile of AP-853/42423560
Property Insights of AP-853/42423560
The XLogP value of 2.1083 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AP-853/42423560. The TPSA of 120.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-853/42423560. Following Lipinski's Rule of Five, AP-853/42423560 has 2 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-853/42423560?
The CAS number of AP-853/42423560 is 701231-70-1.
What is the molecular formula of AP-853/42423560?
The molecular formula of AP-853/42423560 is C18H16N2O6S2.
What is the molecular weight of AP-853/42423560?
The molecular weight of AP-853/42423560 is 420.04 g/mol.
Where can I buy AP-853/42423560?
You can request a quote for AP-853/42423560 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-853/42423560?
Yes, KEHONG BIO provides custom synthesis services for AP-853/42423560 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.