BAS 00778985
TL;DR: BAS 00778985 (CAS 324073-94-1) is a chemical compound with molecular formula C21H17N3O6S and molecular weight 439.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-(furan-2-ylmethylidene)-7-methyl-5-(3-nitrophenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00778985, ethyl 2-(2-furylmethylene)-5-{3-nitrophenyl}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-2-(furan-2-ylmethylidene)-7-methyl-5-(3-nitrophenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ETHYL (2Z)-2-[(FURAN-2-YL)METHYLIDENE]-7-METHYL-5-(3-NITROPHENYL)-3-OXO-2H,3H,5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE, ethyl 2-(2-furylmethylene)-7-methyl-5-(3-nitrophenyl)-3-oxo-4,5-dihydro-1,3-th iazolidino[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C21H17N3O6S |
|---|---|
| Molecular Weight | 439.08 g/mol |
| LogP | 2.2995 |
| Topological Polar Surface Area | 116.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.0838 |
| Heavy Atoms | 31 |
| Complexity | 1381.0747 |
Chemical Identifiers
| CAS Number | 324073-94-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC(=CC=C3)[N+](=O)[O-])C(=O)/C(=C/C4=CC=CO4)/S2)C |
Product Overview
BAS 00778985 (CAS 324073-94-1), with molecular formula C21H17N3O6S and molecular weight 439.08 g/mol. IUPAC: ethyl (2Z)-2-(furan-2-ylmethylidene)-7-methyl-5-(3-nitrophenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00778985
Property Insights of BAS 00778985
The XLogP value of 2.2995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00778985. The TPSA of 116.94 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00778985. Following Lipinski's Rule of Five, BAS 00778985 has 0 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 00778985?
The CAS number of BAS 00778985 is 324073-94-1.
What is the molecular formula of BAS 00778985?
The molecular formula of BAS 00778985 is C21H17N3O6S.
What is the molecular weight of BAS 00778985?
The molecular weight of BAS 00778985 is 439.08 g/mol.
Where can I buy BAS 00778985?
You can request a quote for BAS 00778985 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00778985?
Yes, KEHONG BIO provides custom synthesis services for BAS 00778985 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.