AS-871/40991442
TL;DR: AS-871/40991442 (CAS 432003-16-2) is a chemical compound with molecular formula C24H26BrN3O4 and molecular weight 499.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(4-bromophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-piperazin-1-ylethyl)pyrrolidine-2,3-dione
Also Known As: AS-871/40991442, (4E)-5-(4-bromophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-piperazin-1-ylethyl)pyrrolidine-2,3-dione, 5-(4-bromophenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-(2-(piperazin-1-yl)ethyl)-1H-pyrrol-2(5H)-one, 5-(4-bromophenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-[2-(1-piperazinyl)ethyl]-1,5-dihydro-2H-pyrrol-2-one, 5-(4-bromophenyl)-3-hydroxy-4-[(4-methoxyphenyl)carbonyl]-1-[2-(piperazin-1-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C24H26BrN3O4 |
|---|---|
| Molecular Weight | 499.11 g/mol |
| LogP | 2.7846 |
| Topological Polar Surface Area | 82.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.11066 |
| Heavy Atoms | 32 |
| Complexity | 1014.5448 |
Chemical Identifiers
| CAS Number | 432003-16-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCN3CCNCC3)C4=CC=C(C=C4)Br)/O |
Product Overview
AS-871/40991442 (CAS 432003-16-2), with molecular formula C24H26BrN3O4 and molecular weight 499.11 g/mol. IUPAC: (4E)-5-(4-bromophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-piperazin-1-ylethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AS-871/40991442
Property Insights of AS-871/40991442
The XLogP value of 2.7846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AS-871/40991442. The TPSA of 82.11 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/40991442. Following Lipinski's Rule of Five, AS-871/40991442 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 AS-871/40991442?
The CAS number of AS-871/40991442 is 432003-16-2.
What is the molecular formula of AS-871/40991442?
The molecular formula of AS-871/40991442 is C24H26BrN3O4.
What is the molecular weight of AS-871/40991442?
The molecular weight of AS-871/40991442 is 499.11 g/mol.
Where can I buy AS-871/40991442?
You can request a quote for AS-871/40991442 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/40991442?
Yes, KEHONG BIO provides custom synthesis services for AS-871/40991442 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.