BAS 00601808
TL;DR: BAS 00601808 (CAS 213466-69-4) is a chemical compound with molecular formula C23H19N3O5S and molecular weight 449.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-7-methyl-2-[(4-nitrophenyl)methylidene]-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00601808, (E)-ethyl 7-methyl-2-(4-nitrobenzylidene)-3-oxo-5-phenyl-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, ETHYL (2E)-7-METHYL-2-(4-NITROBENZYLIDENE)-3-OXO-5-PHENYL-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE, ethyl (2E)-7-methyl-2-[(4-nitrophenyl)methylidene]-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C23H19N3O5S |
|---|---|
| Molecular Weight | 449.10 g/mol |
| LogP | 2.7065 |
| Topological Polar Surface Area | 103.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.10455 |
| Heavy Atoms | 32 |
| Complexity | 1402.5488 |
Chemical Identifiers
| CAS Number | 213466-69-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)/C(=C\C4=CC=C(C=C4)[N+](=O)[O-])/S2)C |
Product Overview
BAS 00601808 (CAS 213466-69-4), with molecular formula C23H19N3O5S and molecular weight 449.10 g/mol. IUPAC: ethyl (2E)-7-methyl-2-[(4-nitrophenyl)methylidene]-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00601808
Property Insights of BAS 00601808
The XLogP value of 2.7065 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00601808. The TPSA of 103.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00601808. Following Lipinski's Rule of Five, BAS 00601808 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 00601808?
The CAS number of BAS 00601808 is 213466-69-4.
What is the molecular formula of BAS 00601808?
The molecular formula of BAS 00601808 is C23H19N3O5S.
What is the molecular weight of BAS 00601808?
The molecular weight of BAS 00601808 is 449.10 g/mol.
Where can I buy BAS 00601808?
You can request a quote for BAS 00601808 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00601808?
Yes, KEHONG BIO provides custom synthesis services for BAS 00601808 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.