AB00116365-01
TL;DR: AB00116365-01 (CAS 381683-69-8) is a chemical compound with molecular formula C24H24ClN3O6 and molecular weight 485.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Also Known As: AB00116365-01, AS-871/40991790, 4-(4-chlorobenzoyl)-3-hydroxy-1-(3-morpholinopropyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one, (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione, 4-(4-chlorobenzoyl)-3-hydroxy-5-{3-nitrophenyl}-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C24H24ClN3O6 |
|---|---|
| Molecular Weight | 485.14 g/mol |
| LogP | 3.3922 |
| Topological Polar Surface Area | 113.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 485.13538 |
| Heavy Atoms | 34 |
| Complexity | 1127.7831 |
Chemical Identifiers
| CAS Number | 381683-69-8 |
|---|---|
| SMILES | C1COCCN1CCCN2C(/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C2=O)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
AB00116365-01 (CAS 381683-69-8), with molecular formula C24H24ClN3O6 and molecular weight 485.14 g/mol. IUPAC: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AB00116365-01
Property Insights of AB00116365-01
The XLogP value of 3.3922 indicates that AB00116365-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.22 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00116365-01. Following Lipinski's Rule of Five, AB00116365-01 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 AB00116365-01?
The CAS number of AB00116365-01 is 381683-69-8.
What is the molecular formula of AB00116365-01?
The molecular formula of AB00116365-01 is C24H24ClN3O6.
What is the molecular weight of AB00116365-01?
The molecular weight of AB00116365-01 is 485.14 g/mol.
Where can I buy AB00116365-01?
You can request a quote for AB00116365-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00116365-01?
Yes, KEHONG BIO provides custom synthesis services for AB00116365-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.