BAS 05887478
TL;DR: BAS 05887478 (CAS 608117-72-2) is a chemical compound with molecular formula C25H19N3O3S and molecular weight 441.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione
Also Known As: BAS 05887478, 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione, 4-benzoyl-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one
| Molecular Formula | C25H19N3O3S |
|---|---|
| Molecular Weight | 441.11 g/mol |
| LogP | 4.93444 |
| Topological Polar Surface Area | 83.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.11472 |
| Heavy Atoms | 32 |
| Complexity | 1394.2418 |
Chemical Identifiers
| CAS Number | 608117-72-2 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC=CC=C4)O)C(=O)C3=O)C5=CN=CC=C5)C |
Product Overview
BAS 05887478 (CAS 608117-72-2), with molecular formula C25H19N3O3S and molecular weight 441.11 g/mol. IUPAC: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione.
Chemical Property Profile of BAS 05887478
Property Insights of BAS 05887478
The XLogP value of 4.93444 indicates that BAS 05887478 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.39 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05887478. Following Lipinski's Rule of Five, BAS 05887478 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 05887478?
The CAS number of BAS 05887478 is 608117-72-2.
What is the molecular formula of BAS 05887478?
The molecular formula of BAS 05887478 is C25H19N3O3S.
What is the molecular weight of BAS 05887478?
The molecular weight of BAS 05887478 is 441.11 g/mol.
Where can I buy BAS 05887478?
You can request a quote for BAS 05887478 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05887478?
Yes, KEHONG BIO provides custom synthesis services for BAS 05887478 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.