AS-871/42846596
TL;DR: AS-871/42846596 (CAS 701290-04-2) is a chemical compound with molecular formula C21H18N4O6S2 and molecular weight 486.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxoisoindol-2-yl)-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide
Also Known As: AS-871/42846596, 2-(1,3-dioxoisoindol-2-yl)-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide, 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[6-(4-morpholinylsulfonyl)-1,3-benzothiazol-2-yl]acetamide, 2-(1,3-dioxobenzo[c]azolin-2-yl)-N-[6-(morpholin-4-ylsulfonyl)benzothiazol-2-y l]acetamide
| Molecular Formula | C21H18N4O6S2 |
|---|---|
| Molecular Weight | 486.07 g/mol |
| LogP | 1.5519 |
| Topological Polar Surface Area | 125.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.06677 |
| Heavy Atoms | 33 |
| Complexity | 1359.7556 |
Chemical Identifiers
| CAS Number | 701290-04-2 |
|---|---|
| SMILES | C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CN4C(=O)C5=CC=CC=C5C4=O |
Product Overview
AS-871/42846596 (CAS 701290-04-2), with molecular formula C21H18N4O6S2 and molecular weight 486.07 g/mol. IUPAC: 2-(1,3-dioxoisoindol-2-yl)-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide.
Chemical Property Profile of AS-871/42846596
Property Insights of AS-871/42846596
The XLogP value of 1.5519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AS-871/42846596. The TPSA of 125.98 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/42846596. Following Lipinski's Rule of Five, AS-871/42846596 has 1 hydrogen bond donor(s) and 8 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 AS-871/42846596?
The CAS number of AS-871/42846596 is 701290-04-2.
What is the molecular formula of AS-871/42846596?
The molecular formula of AS-871/42846596 is C21H18N4O6S2.
What is the molecular weight of AS-871/42846596?
The molecular weight of AS-871/42846596 is 486.07 g/mol.
Where can I buy AS-871/42846596?
You can request a quote for AS-871/42846596 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42846596?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42846596 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.