BAS 03539904
TL;DR: BAS 03539904 (CAS 496771-66-5) is a chemical compound with molecular formula C26H30N2O5 and molecular weight 450.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-5-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
Also Known As: BAS 03539904, 3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-5-(4-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one, 4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-5-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
| Molecular Formula | C26H30N2O5 |
|---|---|
| Molecular Weight | 450.22 g/mol |
| LogP | 3.06594 |
| Topological Polar Surface Area | 79.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.21548 |
| Heavy Atoms | 33 |
| Complexity | 1070.5898 |
Chemical Identifiers
| CAS Number | 496771-66-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C(=C(C3=C(C=C(C=C3)OC)C)O)C(=O)C(=O)N2CCN4CCOCC4 |
Product Overview
BAS 03539904 (CAS 496771-66-5), with molecular formula C26H30N2O5 and molecular weight 450.22 g/mol. IUPAC: 4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-5-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of BAS 03539904
Property Insights of BAS 03539904
The XLogP value of 3.06594 indicates that BAS 03539904 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.31 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03539904. Following Lipinski's Rule of Five, BAS 03539904 has 1 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 BAS 03539904?
The CAS number of BAS 03539904 is 496771-66-5.
What is the molecular formula of BAS 03539904?
The molecular formula of BAS 03539904 is C26H30N2O5.
What is the molecular weight of BAS 03539904?
The molecular weight of BAS 03539904 is 450.22 g/mol.
Where can I buy BAS 03539904?
You can request a quote for BAS 03539904 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03539904?
Yes, KEHONG BIO provides custom synthesis services for BAS 03539904 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.