![ETHYL (8Z)-4-METHYL-2-(3-NITROPHENYL)-8-[(3-NITROPHENYL)METHYLIDENE]-9-OXO-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE structure](/static/products/300/300377-51-9.png)
ETHYL (8Z)-4-METHYL-2-(3-NITROPHENYL)-8-[(3-NITROPHENYL)METHYLIDENE]-9-OXO-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE
TL;DR: ETHYL (8Z)-4-METHYL-2-(3-NITROPHENYL)-8-[(3-NITROPHENYL)METHYLIDENE]-9-OXO-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE (CAS 300377-51-9) is a chemical compound with molecular formula C23H18N4O7S and molecular weight 494.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-7-methyl-5-(3-nitrophenyl)-2-[(3-nitrophenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ETHYL (8Z)-4-METHYL-2-(3-NITROPHENYL)-8-[(3-NITROPHENYL)METHYLIDENE]-9-OXO-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE, ethyl (2Z)-7-methyl-5-(3-nitrophenyl)-2-[(3-nitrophenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-ethyl 7-methyl-2-(3-nitrobenzylidene)-5-(3-nitrophenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-7-methyl-2-(3-nitrobenzylidene)-5-(3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 7-methyl-2-(3-nitrobenzylidene)-5-(3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C23H18N4O7S |
|---|---|
| Molecular Weight | 494.09 g/mol |
| LogP | 2.6147 |
| Topological Polar Surface Area | 146.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.08963 |
| Heavy Atoms | 35 |
| Complexity | 1585.5142 |
Chemical Identifiers
| CAS Number | 300377-51-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC(=CC=C3)[N+](=O)[O-])C(=O)/C(=C/C4=CC(=CC=C4)[N+](=O)[O-])/S2)C |
Product Overview
ETHYL (8Z)-4-METHYL-2-(3-NITROPHENYL)-8-[(3-NITROPHENYL)METHYLIDENE]-9-OXO-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE (CAS 300377-51-9), with molecular formula C23H18N4O7S and molecular weight 494.09 g/mol. IUPAC: ethyl (2Z)-7-methyl-5-(3-nitrophenyl)-2-[(3-nitrophenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ETHYL (8Z)-4-METHYL-2-(3-NITROPHENYL)-8-[(3-NITROPHENYL)METHYLIDENE]-9-OXO-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE
Property Insights of ETHYL (8Z)-4-METHYL-2-(3-NITROPHENYL)-8-[(3-NITROPHENYL)METHYLIDENE]-9-OXO-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE
The XLogP value of 2.6147 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ETHYL (8Z)-4-METHYL-2-(3-NITROPHENYL)-8-[(3-NITROPHENYL)METHYLIDENE]-9-OXO-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE. The TPSA of 146.94 Ų indicates high polarity, suggesting ETHYL (8Z)-4-METHYL-2-(3-NITROPHENYL)-8-[(3-NITROPHENYL)METHYLIDENE]-9-OXO-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ETHYL (8Z)-4-METHYL-2-(3-NITROPHENYL)-8-[(3-NITROPHENYL)METHYLIDENE]-9-OXO-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE has 0 hydrogen bond donor(s) and 9 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 ETHYL (8Z)-4-METHYL-2-(3-NITROPHENYL)-8-[(3-NITROPHENYL)METHYLIDENE]-9-OXO-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE?
The CAS number of ETHYL (8Z)-4-METHYL-2-(3-NITROPHENYL)-8-[(3-NITROPHENYL)METHYLIDENE]-9-OXO-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE is 300377-51-9.
What is the molecular formula of ETHYL (8Z)-4-METHYL-2-(3-NITROPHENYL)-8-[(3-NITROPHENYL)METHYLIDENE]-9-OXO-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE?
The molecular formula of ETHYL (8Z)-4-METHYL-2-(3-NITROPHENYL)-8-[(3-NITROPHENYL)METHYLIDENE]-9-OXO-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE is C23H18N4O7S.
What is the molecular weight of ETHYL (8Z)-4-METHYL-2-(3-NITROPHENYL)-8-[(3-NITROPHENYL)METHYLIDENE]-9-OXO-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE?
The molecular weight of ETHYL (8Z)-4-METHYL-2-(3-NITROPHENYL)-8-[(3-NITROPHENYL)METHYLIDENE]-9-OXO-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE is 494.09 g/mol.
Where can I buy ETHYL (8Z)-4-METHYL-2-(3-NITROPHENYL)-8-[(3-NITROPHENYL)METHYLIDENE]-9-OXO-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE?
You can request a quote for ETHYL (8Z)-4-METHYL-2-(3-NITROPHENYL)-8-[(3-NITROPHENYL)METHYLIDENE]-9-OXO-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ETHYL (8Z)-4-METHYL-2-(3-NITROPHENYL)-8-[(3-NITROPHENYL)METHYLIDENE]-9-OXO-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE?
Yes, KEHONG BIO provides custom synthesis services for ETHYL (8Z)-4-METHYL-2-(3-NITROPHENYL)-8-[(3-NITROPHENYL)METHYLIDENE]-9-OXO-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.