![ETHYL (8Z)-8-[(3-BROMO-4-HYDROXY-PHENYL)METHYLIDENE]-4-METHYL-9-OXO-2-THIOPHEN-2-YL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE structure](/static/products/6173/6173-07-5.webp)
ETHYL (8Z)-8-[(3-BROMO-4-HYDROXY-PHENYL)METHYLIDENE]-4-METHYL-9-OXO-2-THIOPHEN-2-YL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE
TL;DR: ETHYL (8Z)-8-[(3-BROMO-4-HYDROXY-PHENYL)METHYLIDENE]-4-METHYL-9-OXO-2-THIOPHEN-2-YL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE (CAS 6173-07-5) is a chemical compound with molecular formula C21H17BrN2O4S2 and molecular weight 503.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-bromo-4-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ETHYL (8Z)-8-[(3-BROMO-4-HYDROXY-PHENYL)METHYLIDENE]-4-METHYL-9-OXO-2-THIOPHEN-2-YL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE, Ethyl 2-[(3-bromo-4-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 2-[(3-bromo-4-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C21H17BrN2O4S2 |
|---|---|
| Molecular Weight | 503.98 g/mol |
| LogP | 3.3279 |
| Topological Polar Surface Area | 80.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 503.98132 |
| Heavy Atoms | 30 |
| Complexity | 1336.2286 |
Chemical Identifiers
| CAS Number | 6173-07-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=CC(=C(C=C4)O)Br)S2)C |
Product Overview
ETHYL (8Z)-8-[(3-BROMO-4-HYDROXY-PHENYL)METHYLIDENE]-4-METHYL-9-OXO-2-THIOPHEN-2-YL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE (CAS 6173-07-5), with molecular formula C21H17BrN2O4S2 and molecular weight 503.98 g/mol. IUPAC: ethyl 2-[(3-bromo-4-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ETHYL (8Z)-8-[(3-BROMO-4-HYDROXY-PHENYL)METHYLIDENE]-4-METHYL-9-OXO-2-THIOPHEN-2-YL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE
Property Insights of ETHYL (8Z)-8-[(3-BROMO-4-HYDROXY-PHENYL)METHYLIDENE]-4-METHYL-9-OXO-2-THIOPHEN-2-YL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE
The XLogP value of 3.3279 indicates that ETHYL (8Z)-8-[(3-BROMO-4-HYDROXY-PHENYL)METHYLIDENE]-4-METHYL-9-OXO-2-THIOPHEN-2-YL-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 80.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ETHYL (8Z)-8-[(3-BROMO-4-HYDROXY-PHENYL)METHYLIDENE]-4-METHYL-9-OXO-2-THIOPHEN-2-YL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE. Following Lipinski's Rule of Five, ETHYL (8Z)-8-[(3-BROMO-4-HYDROXY-PHENYL)METHYLIDENE]-4-METHYL-9-OXO-2-THIOPHEN-2-YL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE has 1 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)-8-[(3-BROMO-4-HYDROXY-PHENYL)METHYLIDENE]-4-METHYL-9-OXO-2-THIOPHEN-2-YL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE?
The CAS number of ETHYL (8Z)-8-[(3-BROMO-4-HYDROXY-PHENYL)METHYLIDENE]-4-METHYL-9-OXO-2-THIOPHEN-2-YL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE is 6173-07-5.
What is the molecular formula of ETHYL (8Z)-8-[(3-BROMO-4-HYDROXY-PHENYL)METHYLIDENE]-4-METHYL-9-OXO-2-THIOPHEN-2-YL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE?
The molecular formula of ETHYL (8Z)-8-[(3-BROMO-4-HYDROXY-PHENYL)METHYLIDENE]-4-METHYL-9-OXO-2-THIOPHEN-2-YL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE is C21H17BrN2O4S2.
What is the molecular weight of ETHYL (8Z)-8-[(3-BROMO-4-HYDROXY-PHENYL)METHYLIDENE]-4-METHYL-9-OXO-2-THIOPHEN-2-YL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE?
The molecular weight of ETHYL (8Z)-8-[(3-BROMO-4-HYDROXY-PHENYL)METHYLIDENE]-4-METHYL-9-OXO-2-THIOPHEN-2-YL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE is 503.98 g/mol.
Where can I buy ETHYL (8Z)-8-[(3-BROMO-4-HYDROXY-PHENYL)METHYLIDENE]-4-METHYL-9-OXO-2-THIOPHEN-2-YL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE?
You can request a quote for ETHYL (8Z)-8-[(3-BROMO-4-HYDROXY-PHENYL)METHYLIDENE]-4-METHYL-9-OXO-2-THIOPHEN-2-YL-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)-8-[(3-BROMO-4-HYDROXY-PHENYL)METHYLIDENE]-4-METHYL-9-OXO-2-THIOPHEN-2-YL-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE?
Yes, KEHONG BIO provides custom synthesis services for ETHYL (8Z)-8-[(3-BROMO-4-HYDROXY-PHENYL)METHYLIDENE]-4-METHYL-9-OXO-2-THIOPHEN-2-YL-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.