AP-853/42000791
TL;DR: AP-853/42000791 (CAS 694474-44-7) is a chemical compound with molecular formula C18H17N3O5S2 and molecular weight 419.06 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-carboxamide
Also Known As: AP-853/42000791, 2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C18H17N3O5S2 |
|---|---|
| Molecular Weight | 419.06 g/mol |
| LogP | 1.509 |
| Topological Polar Surface Area | 126.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.06097 |
| Heavy Atoms | 28 |
| Complexity | 1120.236 |
Chemical Identifiers
| CAS Number | 694474-44-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O)C(=O)N |
Product Overview
AP-853/42000791 (CAS 694474-44-7), with molecular formula C18H17N3O5S2 and molecular weight 419.06 g/mol. IUPAC: 2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of AP-853/42000791
Property Insights of AP-853/42000791
The XLogP value of 1.509 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AP-853/42000791. The TPSA of 126.64 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-853/42000791. Following Lipinski's Rule of Five, AP-853/42000791 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-853/42000791?
The CAS number of AP-853/42000791 is 694474-44-7.
What is the molecular formula of AP-853/42000791?
The molecular formula of AP-853/42000791 is C18H17N3O5S2.
What is the molecular weight of AP-853/42000791?
The molecular weight of AP-853/42000791 is 419.06 g/mol.
Where can I buy AP-853/42000791?
You can request a quote for AP-853/42000791 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-853/42000791?
Yes, KEHONG BIO provides custom synthesis services for AP-853/42000791 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.