![ethyl (8Z)-2-(2-methoxynaphthalen-1-yl)-8-[(4-methoxyphenyl)methylidene]-4-methyl-9-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate structure](/static/products/5823/5823-60-9.webp)
ethyl (8Z)-2-(2-methoxynaphthalen-1-yl)-8-[(4-methoxyphenyl)methylidene]-4-methyl-9-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate
TL;DR: ethyl (8Z)-2-(2-methoxynaphthalen-1-yl)-8-[(4-methoxyphenyl)methylidene]-4-methyl-9-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate (CAS 5823-60-9) is a chemical compound with molecular formula C29H26N2O5S and molecular weight 514.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(2-methoxynaphthalen-1-yl)-2-[(4-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ethyl (8Z)-2-(2-methoxynaphthalen-1-yl)-8-[(4-methoxyphenyl)methylidene]-4-methyl-9-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate, ethyl 5-(2-methoxynaphthalen-1-yl)-2-[(4-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C29H26N2O5S |
|---|---|
| Molecular Weight | 514.16 g/mol |
| LogP | 3.9687 |
| Topological Polar Surface Area | 79.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 514.15625 |
| Heavy Atoms | 37 |
| Complexity | 1714.0162 |
Chemical Identifiers
| CAS Number | 5823-60-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=C(C=CC4=CC=CC=C43)OC)C(=O)C(=CC5=CC=C(C=C5)OC)S2)C |
Product Overview
ethyl (8Z)-2-(2-methoxynaphthalen-1-yl)-8-[(4-methoxyphenyl)methylidene]-4-methyl-9-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate (CAS 5823-60-9), with molecular formula C29H26N2O5S and molecular weight 514.16 g/mol. IUPAC: ethyl 5-(2-methoxynaphthalen-1-yl)-2-[(4-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ethyl (8Z)-2-(2-methoxynaphthalen-1-yl)-8-[(4-methoxyphenyl)methylidene]-4-methyl-9-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate
Property Insights of ethyl (8Z)-2-(2-methoxynaphthalen-1-yl)-8-[(4-methoxyphenyl)methylidene]-4-methyl-9-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate
The XLogP value of 3.9687 indicates that ethyl (8Z)-2-(2-methoxynaphthalen-1-yl)-8-[(4-methoxyphenyl)methylidene]-4-methyl-9-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (8Z)-2-(2-methoxynaphthalen-1-yl)-8-[(4-methoxyphenyl)methylidene]-4-methyl-9-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate. Following Lipinski's Rule of Five, ethyl (8Z)-2-(2-methoxynaphthalen-1-yl)-8-[(4-methoxyphenyl)methylidene]-4-methyl-9-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl (8Z)-2-(2-methoxynaphthalen-1-yl)-8-[(4-methoxyphenyl)methylidene]-4-methyl-9-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate?
The CAS number of ethyl (8Z)-2-(2-methoxynaphthalen-1-yl)-8-[(4-methoxyphenyl)methylidene]-4-methyl-9-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate is 5823-60-9.
What is the molecular formula of ethyl (8Z)-2-(2-methoxynaphthalen-1-yl)-8-[(4-methoxyphenyl)methylidene]-4-methyl-9-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate?
The molecular formula of ethyl (8Z)-2-(2-methoxynaphthalen-1-yl)-8-[(4-methoxyphenyl)methylidene]-4-methyl-9-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate is C29H26N2O5S.
What is the molecular weight of ethyl (8Z)-2-(2-methoxynaphthalen-1-yl)-8-[(4-methoxyphenyl)methylidene]-4-methyl-9-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate?
The molecular weight of ethyl (8Z)-2-(2-methoxynaphthalen-1-yl)-8-[(4-methoxyphenyl)methylidene]-4-methyl-9-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate is 514.16 g/mol.
Where can I buy ethyl (8Z)-2-(2-methoxynaphthalen-1-yl)-8-[(4-methoxyphenyl)methylidene]-4-methyl-9-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5-diene-3-carboxylate?
You can request a quote for ethyl (8Z)-2-(2-methoxynaphthalen-1-yl)-8-[(4-methoxyphenyl)methylidene]-4-methyl-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)-2-(2-methoxynaphthalen-1-yl)-8-[(4-methoxyphenyl)methylidene]-4-methyl-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)-2-(2-methoxynaphthalen-1-yl)-8-[(4-methoxyphenyl)methylidene]-4-methyl-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.