BAS 13120846
TL;DR: BAS 13120846 (CAS 381189-06-6) is a chemical compound with molecular formula C25H28N2O4 and molecular weight 420.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
Also Known As: BAS 13120846, 3-hydroxy-4-(4-methylbenzoyl)-5-(4-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one, 4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
| Molecular Formula | C25H28N2O4 |
|---|---|
| Molecular Weight | 420.20 g/mol |
| LogP | 3.05734 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.2049 |
| Heavy Atoms | 31 |
| Complexity | 989.187 |
Chemical Identifiers
| CAS Number | 381189-06-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)C)O)C(=O)C(=O)N2CCN4CCOCC4 |
Product Overview
BAS 13120846 (CAS 381189-06-6), with molecular formula C25H28N2O4 and molecular weight 420.20 g/mol. IUPAC: 4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of BAS 13120846
Property Insights of BAS 13120846
The XLogP value of 3.05734 indicates that BAS 13120846 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13120846. Following Lipinski's Rule of Five, BAS 13120846 has 1 hydrogen bond donor(s) and 5 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 13120846?
The CAS number of BAS 13120846 is 381189-06-6.
What is the molecular formula of BAS 13120846?
The molecular formula of BAS 13120846 is C25H28N2O4.
What is the molecular weight of BAS 13120846?
The molecular weight of BAS 13120846 is 420.20 g/mol.
Where can I buy BAS 13120846?
You can request a quote for BAS 13120846 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13120846?
Yes, KEHONG BIO provides custom synthesis services for BAS 13120846 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.