BAS 00523689
TL;DR: BAS 00523689 (CAS 5529-12-4) is a chemical compound with molecular formula C25H21N3O5S and molecular weight 475.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-7-methyl-2-[(4-nitrophenyl)methylidene]-3-oxo-5-[(E)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00523689, ethyl (2Z)-7-methyl-2-[(4-nitrophenyl)methylidene]-3-oxo-5-[(E)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 2-{4-nitrobenzylidene}-7-methyl-3-oxo-5-(2-phenylvinyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 7-methyl-2-(4-nitrobenzylidene)-3-oxo-5-(2-phenylvinyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, Ethyl (2Z)-7-methyl-2-[(4-nitrophenyl)methylidene]-3-oxo-5-[(E)-2-phenylethen-1-yl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C25H21N3O5S |
|---|---|
| Molecular Weight | 475.12 g/mol |
| LogP | 3.3716 |
| Topological Polar Surface Area | 103.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.12018 |
| Heavy Atoms | 34 |
| Complexity | 1481.9835 |
Chemical Identifiers
| CAS Number | 5529-12-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1/C=C/C3=CC=CC=C3)C(=O)/C(=C/C4=CC=C(C=C4)[N+](=O)[O-])/S2)C |
Product Overview
BAS 00523689 (CAS 5529-12-4), with molecular formula C25H21N3O5S and molecular weight 475.12 g/mol. IUPAC: ethyl (2Z)-7-methyl-2-[(4-nitrophenyl)methylidene]-3-oxo-5-[(E)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00523689
Property Insights of BAS 00523689
The XLogP value of 3.3716 indicates that BAS 00523689 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00523689. Following Lipinski's Rule of Five, BAS 00523689 has 0 hydrogen bond donor(s) and 7 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 00523689?
The CAS number of BAS 00523689 is 5529-12-4.
What is the molecular formula of BAS 00523689?
The molecular formula of BAS 00523689 is C25H21N3O5S.
What is the molecular weight of BAS 00523689?
The molecular weight of BAS 00523689 is 475.12 g/mol.
Where can I buy BAS 00523689?
You can request a quote for BAS 00523689 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00523689?
Yes, KEHONG BIO provides custom synthesis services for BAS 00523689 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.