AS-871/42124345
TL;DR: AS-871/42124345 (CAS 620569-38-2) is a chemical compound with molecular formula C22H15BrN2O5S and molecular weight 497.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(4-bromophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Also Known As: AS-871/42124345, (4E)-5-(4-bromophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione, 5-(4-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-(1,3-thiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one, 5-(4-bromophenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-1-(thiazol-2-yl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C22H15BrN2O5S |
|---|---|
| Molecular Weight | 497.99 g/mol |
| LogP | 4.3031 |
| Topological Polar Surface Area | 88.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 497.9885 |
| Heavy Atoms | 31 |
| Complexity | 1207.149 |
Chemical Identifiers
| CAS Number | 620569-38-2 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)C4=NC=CS4)C5=CC=C(C=C5)Br)/O |
Product Overview
AS-871/42124345 (CAS 620569-38-2), with molecular formula C22H15BrN2O5S and molecular weight 497.99 g/mol. IUPAC: (4E)-5-(4-bromophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione.
Chemical Property Profile of AS-871/42124345
Property Insights of AS-871/42124345
The XLogP value of 4.3031 indicates that AS-871/42124345 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.96 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/42124345. Following Lipinski's Rule of Five, AS-871/42124345 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-871/42124345?
The CAS number of AS-871/42124345 is 620569-38-2.
What is the molecular formula of AS-871/42124345?
The molecular formula of AS-871/42124345 is C22H15BrN2O5S.
What is the molecular weight of AS-871/42124345?
The molecular weight of AS-871/42124345 is 497.99 g/mol.
Where can I buy AS-871/42124345?
You can request a quote for AS-871/42124345 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42124345?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42124345 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.