AB00097050-01
TL;DR: AB00097050-01 (CAS 5790-87-4) is a chemical compound with molecular formula C20H20N2O3 and molecular weight 336.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-1-methylpyrrolidine-2,3-dione
Also Known As: AB00097050-01, (4E)-5-[4-(DIMETHYLAMINO)PHENYL]-4-[HYDROXY(PHENYL)METHYLIDENE]-1-METHYLPYRROLIDINE-2,3-DIONE, (4E)-5-(4-dimethylaminophenyl)-4-[hydroxy(phenyl)methylidene]-1-methylpyrrolidine-2,3-dione, 4-BENZOYL-5-[4-(DIMETHYLAMINO)PHENYL]-3-HYDROXY-1-METHYL-1,5-DIHYDRO-2H-PYRROL-2-ONE
| Molecular Formula | C20H20N2O3 |
|---|---|
| Molecular Weight | 336.15 g/mol |
| LogP | 2.8041 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.1474 |
| Heavy Atoms | 25 |
| Complexity | 839.0048 |
Chemical Identifiers
| CAS Number | 5790-87-4 |
|---|---|
| SMILES | CN1C(/C(=C(/C2=CC=CC=C2)\O)/C(=O)C1=O)C3=CC=C(C=C3)N(C)C |
Product Overview
AB00097050-01 (CAS 5790-87-4), with molecular formula C20H20N2O3 and molecular weight 336.15 g/mol. IUPAC: (4E)-5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-1-methylpyrrolidine-2,3-dione.
Chemical Property Profile of AB00097050-01
Property Insights of AB00097050-01
The XLogP value of 2.8041 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00097050-01. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00097050-01. Following Lipinski's Rule of Five, AB00097050-01 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 AB00097050-01?
The CAS number of AB00097050-01 is 5790-87-4.
What is the molecular formula of AB00097050-01?
The molecular formula of AB00097050-01 is C20H20N2O3.
What is the molecular weight of AB00097050-01?
The molecular weight of AB00097050-01 is 336.15 g/mol.
Where can I buy AB00097050-01?
You can request a quote for AB00097050-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00097050-01?
Yes, KEHONG BIO provides custom synthesis services for AB00097050-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.