BAS 03539962
TL;DR: BAS 03539962 (CAS 459793-76-1) is a chemical compound with molecular formula C26H24N2O6S and molecular weight 492.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: BAS 03539962, methyl 2-[3-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, methyl 2-[3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-5-(4-methylphenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C26H24N2O6S |
|---|---|
| Molecular Weight | 492.14 g/mol |
| LogP | 4.48986 |
| Topological Polar Surface Area | 106.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 492.1355 |
| Heavy Atoms | 35 |
| Complexity | 1372.9789 |
Chemical Identifiers
| CAS Number | 459793-76-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C(=C(C3=C(C=C(C=C3)OC)C)O)C(=O)C(=O)N2C4=NC(=C(S4)C(=O)OC)C |
Product Overview
BAS 03539962 (CAS 459793-76-1), with molecular formula C26H24N2O6S and molecular weight 492.14 g/mol. IUPAC: methyl 2-[3-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of BAS 03539962
Property Insights of BAS 03539962
The XLogP value of 4.48986 indicates that BAS 03539962 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 03539962. Following Lipinski's Rule of Five, BAS 03539962 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 03539962?
The CAS number of BAS 03539962 is 459793-76-1.
What is the molecular formula of BAS 03539962?
The molecular formula of BAS 03539962 is C26H24N2O6S.
What is the molecular weight of BAS 03539962?
The molecular weight of BAS 03539962 is 492.14 g/mol.
Where can I buy BAS 03539962?
You can request a quote for BAS 03539962 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03539962?
Yes, KEHONG BIO provides custom synthesis services for BAS 03539962 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.