AS-871/42124716
TL;DR: AS-871/42124716 (CAS 578700-79-5) is a chemical compound with molecular formula C22H16N4O7S and molecular weight 480.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Also Known As: AS-871/42124716, (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione, 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-5-{3-nitrophenyl}-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one, 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C22H16N4O7S |
|---|---|
| Molecular Weight | 480.07 g/mol |
| LogP | 3.15222 |
| Topological Polar Surface Area | 144.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.07397 |
| Heavy Atoms | 34 |
| Complexity | 1383.0775 |
Chemical Identifiers
| CAS Number | 578700-79-5 |
|---|---|
| SMILES | CC1=NN=C(S1)N2C(/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C2=O)C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
AS-871/42124716 (CAS 578700-79-5), with molecular formula C22H16N4O7S and molecular weight 480.07 g/mol. IUPAC: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AS-871/42124716
Property Insights of AS-871/42124716
The XLogP value of 3.15222 indicates that AS-871/42124716 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.99 Ų indicates high polarity, suggesting AS-871/42124716 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AS-871/42124716 has 1 hydrogen bond donor(s) and 10 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-871/42124716?
The CAS number of AS-871/42124716 is 578700-79-5.
What is the molecular formula of AS-871/42124716?
The molecular formula of AS-871/42124716 is C22H16N4O7S.
What is the molecular weight of AS-871/42124716?
The molecular weight of AS-871/42124716 is 480.07 g/mol.
Where can I buy AS-871/42124716?
You can request a quote for AS-871/42124716 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42124716?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42124716 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.