AB00114393-01
TL;DR: AB00114393-01 (CAS 378222-95-8) is a chemical compound with molecular formula C22H23BrN2O3 and molecular weight 442.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(3-bromophenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Also Known As: AB00114393-01, 4-benzoyl-5-(3-bromophenyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one, 4-benzoyl-5-(3-bromophenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-1H-pyrrol-2(5H)-one, (4E)-5-(3-bromophenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione, 1-[3-(dimethylamino)propyl]-5-(3-bromophenyl)-3-hydroxy-4-(phenylcarbonyl)-3-p yrrolin-2-one
| Molecular Formula | C22H23BrN2O3 |
|---|---|
| Molecular Weight | 442.09 g/mol |
| LogP | 3.8225 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.0892 |
| Heavy Atoms | 28 |
| Complexity | 909.0077 |
Chemical Identifiers
| CAS Number | 378222-95-8 |
|---|---|
| SMILES | CN(C)CCCN1C(/C(=C(/C2=CC=CC=C2)\O)/C(=O)C1=O)C3=CC(=CC=C3)Br |
Product Overview
AB00114393-01 (CAS 378222-95-8), with molecular formula C22H23BrN2O3 and molecular weight 442.09 g/mol. IUPAC: (4E)-5-(3-bromophenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione.
Chemical Property Profile of AB00114393-01
Property Insights of AB00114393-01
The XLogP value of 3.8225 indicates that AB00114393-01 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 AB00114393-01. Following Lipinski's Rule of Five, AB00114393-01 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 AB00114393-01?
The CAS number of AB00114393-01 is 378222-95-8.
What is the molecular formula of AB00114393-01?
The molecular formula of AB00114393-01 is C22H23BrN2O3.
What is the molecular weight of AB00114393-01?
The molecular weight of AB00114393-01 is 442.09 g/mol.
Where can I buy AB00114393-01?
You can request a quote for AB00114393-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00114393-01?
Yes, KEHONG BIO provides custom synthesis services for AB00114393-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.