AS-871/42711644
TL;DR: AS-871/42711644 (CAS 714212-05-2) is a chemical compound with molecular formula C22H20N4O5S2 and molecular weight 484.09 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-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)propanamide
Also Known As: AS-871/42711644, 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazol-2-yl]propanamide, 2-(1,3-dioxoisoindol-2-yl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)propanamide, F1420-1703, 2-(1,3-dioxoisoindolin-2-yl)-N-(6-(pyrrolidin-1-ylsulfonyl)benzo[d]thiazol-2-yl)propanamide
| Molecular Formula | C22H20N4O5S2 |
|---|---|
| Molecular Weight | 484.09 g/mol |
| LogP | 2.704 |
| Topological Polar Surface Area | 116.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 484.08752 |
| Heavy Atoms | 33 |
| Complexity | 1374.162 |
Chemical Identifiers
| CAS Number | 714212-05-2 |
|---|---|
| SMILES | CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CCCC3)N4C(=O)C5=CC=CC=C5C4=O |
Product Overview
AS-871/42711644 (CAS 714212-05-2), with molecular formula C22H20N4O5S2 and molecular weight 484.09 g/mol. IUPAC: 2-(1,3-dioxoisoindol-2-yl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)propanamide.
Chemical Property Profile of AS-871/42711644
Property Insights of AS-871/42711644
The XLogP value of 2.704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AS-871/42711644. The TPSA of 116.75 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/42711644. Following Lipinski's Rule of Five, AS-871/42711644 has 1 hydrogen bond donor(s) and 7 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-871/42711644?
The CAS number of AS-871/42711644 is 714212-05-2.
What is the molecular formula of AS-871/42711644?
The molecular formula of AS-871/42711644 is C22H20N4O5S2.
What is the molecular weight of AS-871/42711644?
The molecular weight of AS-871/42711644 is 484.09 g/mol.
Where can I buy AS-871/42711644?
You can request a quote for AS-871/42711644 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42711644?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42711644 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.