BAS 03539966
TL;DR: BAS 03539966 (CAS 433256-79-2) is a chemical compound with molecular formula C25H21FN2O6S and molecular weight 496.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3E)-2-(4-fluorophenyl)-3-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: BAS 03539966, methyl 2-[2-(4-fluorophenyl)-4-hydroxy-3-(4-methoxy-2-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, methyl 2-(2-(4-fluorophenyl)-4-hydroxy-3-(4-methoxy-2-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, methyl 2-[(3E)-2-(4-fluorophenyl)-3-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, methyl 2-{(3E)-2-(4-fluorophenyl)-3-[hydroxy(4-methoxy-2-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C25H21FN2O6S |
|---|---|
| Molecular Weight | 496.11 g/mol |
| LogP | 4.32054 |
| Topological Polar Surface Area | 106.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.11044 |
| Heavy Atoms | 35 |
| Complexity | 1379.094 |
Chemical Identifiers
| CAS Number | 433256-79-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC)/C(=C\2/C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OC)C)C4=CC=C(C=C4)F)/O |
Product Overview
BAS 03539966 (CAS 433256-79-2), with molecular formula C25H21FN2O6S and molecular weight 496.11 g/mol. IUPAC: methyl 2-[(3E)-2-(4-fluorophenyl)-3-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of BAS 03539966
Property Insights of BAS 03539966
The XLogP value of 4.32054 indicates that BAS 03539966 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.03 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03539966. Following Lipinski's Rule of Five, BAS 03539966 has 1 hydrogen bond donor(s) and 8 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 03539966?
The CAS number of BAS 03539966 is 433256-79-2.
What is the molecular formula of BAS 03539966?
The molecular formula of BAS 03539966 is C25H21FN2O6S.
What is the molecular weight of BAS 03539966?
The molecular weight of BAS 03539966 is 496.11 g/mol.
Where can I buy BAS 03539966?
You can request a quote for BAS 03539966 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03539966?
Yes, KEHONG BIO provides custom synthesis services for BAS 03539966 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.