BAS 00520952
TL;DR: BAS 00520952 (CAS 5587-22-4) is a chemical compound with molecular formula C15H11N3O3S2 and molecular weight 345.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-methyl-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00520952, BIM-0020458.P001, (5Z)-3-methyl-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 3-methyl-5-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylene}-2-thioxo-1,3-thiazolidin-4-one, 5-[(1-{3-nitrophenyl}-1H-pyrrol-2-yl)methylene]-3-methyl-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C15H11N3O3S2 |
|---|---|
| Molecular Weight | 345.02 g/mol |
| LogP | 3.2165 |
| Topological Polar Surface Area | 68.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.02417 |
| Heavy Atoms | 23 |
| Complexity | 857.1569 |
Chemical Identifiers
| CAS Number | 5587-22-4 |
|---|---|
| SMILES | CN1C(=O)/C(=C/C2=CC=CN2C3=CC(=CC=C3)[N+](=O)[O-])/SC1=S |
Product Overview
BAS 00520952 (CAS 5587-22-4), with molecular formula C15H11N3O3S2 and molecular weight 345.02 g/mol. IUPAC: (5Z)-3-methyl-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00520952
Property Insights of BAS 00520952
The XLogP value of 3.2165 indicates that BAS 00520952 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.38 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00520952. Following Lipinski's Rule of Five, BAS 00520952 has 0 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 00520952?
The CAS number of BAS 00520952 is 5587-22-4.
What is the molecular formula of BAS 00520952?
The molecular formula of BAS 00520952 is C15H11N3O3S2.
What is the molecular weight of BAS 00520952?
The molecular weight of BAS 00520952 is 345.02 g/mol.
Where can I buy BAS 00520952?
You can request a quote for BAS 00520952 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00520952?
Yes, KEHONG BIO provides custom synthesis services for BAS 00520952 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.