AB00115084-01
TL;DR: AB00115084-01 (CAS 378752-22-8) is a chemical compound with molecular formula C22H22ClFN2O3 and molecular weight 416.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
Also Known As: AB00115084-01, 5-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-4-(4-fluorobenzoyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one, (4E)-5-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)-hydroxymethylidene]pyrrolidine-2,3-dione, 5-(4-chlorophenyl)-1-(3-(dimethylamino)propyl)-4-(4-fluorobenzoyl)-3-hydroxy-1H-pyrrol-2(5H)-one, 5-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)carbonyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C22H22ClFN2O3 |
|---|---|
| Molecular Weight | 416.13 g/mol |
| LogP | 3.8525 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.1303 |
| Heavy Atoms | 29 |
| Complexity | 939.53467 |
Chemical Identifiers
| CAS Number | 378752-22-8 |
|---|---|
| SMILES | CN(C)CCCN1C(/C(=C(/C2=CC=C(C=C2)F)\O)/C(=O)C1=O)C3=CC=C(C=C3)Cl |
Product Overview
AB00115084-01 (CAS 378752-22-8), with molecular formula C22H22ClFN2O3 and molecular weight 416.13 g/mol. IUPAC: (4E)-5-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)-hydroxymethylidene]pyrrolidine-2,3-dione.
Chemical Property Profile of AB00115084-01
Property Insights of AB00115084-01
The XLogP value of 3.8525 indicates that AB00115084-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00115084-01. Following Lipinski's Rule of Five, AB00115084-01 has 1 hydrogen bond donor(s) and 4 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 AB00115084-01?
The CAS number of AB00115084-01 is 378752-22-8.
What is the molecular formula of AB00115084-01?
The molecular formula of AB00115084-01 is C22H22ClFN2O3.
What is the molecular weight of AB00115084-01?
The molecular weight of AB00115084-01 is 416.13 g/mol.
Where can I buy AB00115084-01?
You can request a quote for AB00115084-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00115084-01?
Yes, KEHONG BIO provides custom synthesis services for AB00115084-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.