BAS 02378666
TL;DR: BAS 02378666 (CAS 440096-68-4) is a chemical compound with molecular formula C21H18ClNO5 and molecular weight 399.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]propanoic acid
Also Known As: BAS 02378666, 3-[3-(4-CHLOROBENZOYL)-4-HYDROXY-2-(4-METHYLPHENYL)-5-OXO-2,5-DIHYDRO-1H-PYRROL-1-YL]PROPANOIC ACID, 3-(3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2-(p-tolyl)-2,5-dihydro-1H-pyrrol-1-yl)propanoic acid, 3-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]propanoic acid, 3-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]propanoic acid
| Molecular Formula | C21H18ClNO5 |
|---|---|
| Molecular Weight | 399.09 g/mol |
| LogP | 3.54482 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.08734 |
| Heavy Atoms | 28 |
| Complexity | 963.2954 |
Chemical Identifiers
| CAS Number | 440096-68-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C(=O)N2CCC(=O)O |
Product Overview
BAS 02378666 (CAS 440096-68-4), with molecular formula C21H18ClNO5 and molecular weight 399.09 g/mol. IUPAC: 3-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]propanoic acid.
Chemical Property Profile of BAS 02378666
Property Insights of BAS 02378666
The XLogP value of 3.54482 indicates that BAS 02378666 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02378666. Following Lipinski's Rule of Five, BAS 02378666 has 2 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 BAS 02378666?
The CAS number of BAS 02378666 is 440096-68-4.
What is the molecular formula of BAS 02378666?
The molecular formula of BAS 02378666 is C21H18ClNO5.
What is the molecular weight of BAS 02378666?
The molecular weight of BAS 02378666 is 399.09 g/mol.
Where can I buy BAS 02378666?
You can request a quote for BAS 02378666 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02378666?
Yes, KEHONG BIO provides custom synthesis services for BAS 02378666 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.