AP-853/42400279
TL;DR: AP-853/42400279 (CAS 663169-20-8) is a chemical compound with molecular formula C18H15N3O4S2 and molecular weight 401.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: AP-853/42400279, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetamide
| Molecular Formula | C18H15N3O4S2 |
|---|---|
| Molecular Weight | 401.05 g/mol |
| LogP | 2.28178 |
| Topological Polar Surface Area | 107.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.05038 |
| Heavy Atoms | 27 |
| Complexity | 1112.1119 |
Chemical Identifiers
| CAS Number | 663169-20-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O)C#N |
Product Overview
AP-853/42400279 (CAS 663169-20-8), with molecular formula C18H15N3O4S2 and molecular weight 401.05 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of AP-853/42400279
Property Insights of AP-853/42400279
The XLogP value of 2.28178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AP-853/42400279. The TPSA of 107.34 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-853/42400279. Following Lipinski's Rule of Five, AP-853/42400279 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-853/42400279?
The CAS number of AP-853/42400279 is 663169-20-8.
What is the molecular formula of AP-853/42400279?
The molecular formula of AP-853/42400279 is C18H15N3O4S2.
What is the molecular weight of AP-853/42400279?
The molecular weight of AP-853/42400279 is 401.05 g/mol.
Where can I buy AP-853/42400279?
You can request a quote for AP-853/42400279 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-853/42400279?
Yes, KEHONG BIO provides custom synthesis services for AP-853/42400279 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.