![ETHYL (8Z)-2-BENZO[1,3]DIOXOL-5-YL-4-METHYL-9-OXO-8-[(4-PROPAN-2-YLPHENYL)METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE structure](/static/products/5649/5649-00-3.webp)
ETHYL (8Z)-2-BENZO[1,3]DIOXOL-5-YL-4-METHYL-9-OXO-8-[(4-PROPAN-2-YLPHENYL)METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE
TL;DR: ETHYL (8Z)-2-BENZO[1,3]DIOXOL-5-YL-4-METHYL-9-OXO-8-[(4-PROPAN-2-YLPHENYL)METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE (CAS 5649-00-3) is a chemical compound with molecular formula C27H26N2O5S and molecular weight 490.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-[(4-propan-2-ylphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ETHYL (8Z)-2-BENZO[1,3]DIOXOL-5-YL-4-METHYL-9-OXO-8-[(4-PROPAN-2-YLPHENYL)METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE, ethyl 5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-[(4-propan-2-ylphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, Ethyl 5-(2H-1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-{[4-(propan-2-yl)phenyl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C27H26N2O5S |
|---|---|
| Molecular Weight | 490.16 g/mol |
| LogP | 3.6504 |
| Topological Polar Surface Area | 79.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.15625 |
| Heavy Atoms | 35 |
| Complexity | 1512.3237 |
Chemical Identifiers
| CAS Number | 5649-00-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)C(=CC5=CC=C(C=C5)C(C)C)S2)C |
Product Overview
ETHYL (8Z)-2-BENZO[1,3]DIOXOL-5-YL-4-METHYL-9-OXO-8-[(4-PROPAN-2-YLPHENYL)METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE (CAS 5649-00-3), with molecular formula C27H26N2O5S and molecular weight 490.16 g/mol. IUPAC: ethyl 5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-[(4-propan-2-ylphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ETHYL (8Z)-2-BENZO[1,3]DIOXOL-5-YL-4-METHYL-9-OXO-8-[(4-PROPAN-2-YLPHENYL)METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE
Property Insights of ETHYL (8Z)-2-BENZO[1,3]DIOXOL-5-YL-4-METHYL-9-OXO-8-[(4-PROPAN-2-YLPHENYL)METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE
The XLogP value of 3.6504 indicates that ETHYL (8Z)-2-BENZO[1,3]DIOXOL-5-YL-4-METHYL-9-OXO-8-[(4-PROPAN-2-YLPHENYL)METHYLIDENE]-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-BENZO[1,3]DIOXOL-5-YL-4-METHYL-9-OXO-8-[(4-PROPAN-2-YLPHENYL)METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE. Following Lipinski's Rule of Five, ETHYL (8Z)-2-BENZO[1,3]DIOXOL-5-YL-4-METHYL-9-OXO-8-[(4-PROPAN-2-YLPHENYL)METHYLIDENE]-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), 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)-2-BENZO[1,3]DIOXOL-5-YL-4-METHYL-9-OXO-8-[(4-PROPAN-2-YLPHENYL)METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE?
The CAS number of ETHYL (8Z)-2-BENZO[1,3]DIOXOL-5-YL-4-METHYL-9-OXO-8-[(4-PROPAN-2-YLPHENYL)METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE is 5649-00-3.
What is the molecular formula of ETHYL (8Z)-2-BENZO[1,3]DIOXOL-5-YL-4-METHYL-9-OXO-8-[(4-PROPAN-2-YLPHENYL)METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE?
The molecular formula of ETHYL (8Z)-2-BENZO[1,3]DIOXOL-5-YL-4-METHYL-9-OXO-8-[(4-PROPAN-2-YLPHENYL)METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE is C27H26N2O5S.
What is the molecular weight of ETHYL (8Z)-2-BENZO[1,3]DIOXOL-5-YL-4-METHYL-9-OXO-8-[(4-PROPAN-2-YLPHENYL)METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE?
The molecular weight of ETHYL (8Z)-2-BENZO[1,3]DIOXOL-5-YL-4-METHYL-9-OXO-8-[(4-PROPAN-2-YLPHENYL)METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE is 490.16 g/mol.
Where can I buy ETHYL (8Z)-2-BENZO[1,3]DIOXOL-5-YL-4-METHYL-9-OXO-8-[(4-PROPAN-2-YLPHENYL)METHYLIDENE]-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE?
You can request a quote for ETHYL (8Z)-2-BENZO[1,3]DIOXOL-5-YL-4-METHYL-9-OXO-8-[(4-PROPAN-2-YLPHENYL)METHYLIDENE]-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-BENZO[1,3]DIOXOL-5-YL-4-METHYL-9-OXO-8-[(4-PROPAN-2-YLPHENYL)METHYLIDENE]-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-BENZO[1,3]DIOXOL-5-YL-4-METHYL-9-OXO-8-[(4-PROPAN-2-YLPHENYL)METHYLIDENE]-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.