![(Z)-methyl 2-((1-ethyl-1H-pyrazol-4-yl)methylene)-5-methyl-1-oxo-1,2,5,11-tetrahydro-5,11-methanobenzo[g]thiazolo[2,3-d][1,3,5]oxadiazocine-13-carboxylate structure](/static/products/102/1025568-70-0.png)
(Z)-methyl 2-((1-ethyl-1H-pyrazol-4-yl)methylene)-5-methyl-1-oxo-1,2,5,11-tetrahydro-5,11-methanobenzo[g]thiazolo[2,3-d][1,3,5]oxadiazocine-13-carboxylate
TL;DR: (Z)-methyl 2-((1-ethyl-1H-pyrazol-4-yl)methylene)-5-methyl-1-oxo-1,2,5,11-tetrahydro-5,11-methanobenzo[g]thiazolo[2,3-d][1,3,5]oxadiazocine-13-carboxylate (CAS 1025568-70-0) is a chemical compound with molecular formula C21H20N4O4S and molecular weight 424.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (13Z)-13-[(1-ethylpyrazol-4-yl)methylidene]-9-methyl-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.02,7.011,15]hexadeca-2,4,6,10-tetraene-16-carboxylate
Also Known As: (Z)-methyl 2-((1-ethyl-1H-pyrazol-4-yl)methylene)-5-methyl-1-oxo-1,2,5,11-tetrahydro-5,11-methanobenzo[g]thiazolo[2,3-d][1,3,5]oxadiazocine-13-carboxylate, METHYL (2Z)-2-[(1-ETHYL-1H-PYRAZOL-4-YL)METHYLENE]-5-METHYL-1-OXO-1,2-DIHYDRO-5H,11H-5,11-METHANO[1,3]THIAZOLO[2,3-D][1,3,5]BENZOXADIAZOCINE-13-CARBOXYLATE, methyl (2Z)-2-[(1-ethyl-1H-pyrazol-4-yl)methylidene]-5-methyl-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
| Molecular Formula | C21H20N4O4S |
|---|---|
| Molecular Weight | 424.12 g/mol |
| LogP | 1.0754 |
| Topological Polar Surface Area | 87.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 424.1205 |
| Heavy Atoms | 30 |
| Complexity | 1337.4563 |
Chemical Identifiers
| CAS Number | 1025568-70-0 |
|---|---|
| SMILES | CCN1C=C(C=N1)/C=C\2/C(=O)N3C4C(C(N=C3S2)(OC5=CC=CC=C45)C)C(=O)OC |
Product Overview
(Z)-methyl 2-((1-ethyl-1H-pyrazol-4-yl)methylene)-5-methyl-1-oxo-1,2,5,11-tetrahydro-5,11-methanobenzo[g]thiazolo[2,3-d][1,3,5]oxadiazocine-13-carboxylate (CAS 1025568-70-0), with molecular formula C21H20N4O4S and molecular weight 424.12 g/mol. IUPAC: methyl (13Z)-13-[(1-ethylpyrazol-4-yl)methylidene]-9-methyl-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.02,7.011,15]hexadeca-2,4,6,10-tetraene-16-carboxylate.
Chemical Property Profile of (Z)-methyl 2-((1-ethyl-1H-pyrazol-4-yl)methylene)-5-methyl-1-oxo-1,2,5,11-tetrahydro-5,11-methanobenzo[g]thiazolo[2,3-d][1,3,5]oxadiazocine-13-carboxylate
Property Insights of (Z)-methyl 2-((1-ethyl-1H-pyrazol-4-yl)methylene)-5-methyl-1-oxo-1,2,5,11-tetrahydro-5,11-methanobenzo[g]thiazolo[2,3-d][1,3,5]oxadiazocine-13-carboxylate
The XLogP value of 1.0754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-methyl 2-((1-ethyl-1H-pyrazol-4-yl)methylene)-5-methyl-1-oxo-1,2,5,11-tetrahydro-5,11-methanobenzo[g]thiazolo[2,3-d][1,3,5]oxadiazocine-13-carboxylate. The TPSA of 87.71 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 2-((1-ethyl-1H-pyrazol-4-yl)methylene)-5-methyl-1-oxo-1,2,5,11-tetrahydro-5,11-methanobenzo[g]thiazolo[2,3-d][1,3,5]oxadiazocine-13-carboxylate. Following Lipinski's Rule of Five, (Z)-methyl 2-((1-ethyl-1H-pyrazol-4-yl)methylene)-5-methyl-1-oxo-1,2,5,11-tetrahydro-5,11-methanobenzo[g]thiazolo[2,3-d][1,3,5]oxadiazocine-13-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 (Z)-methyl 2-((1-ethyl-1H-pyrazol-4-yl)methylene)-5-methyl-1-oxo-1,2,5,11-tetrahydro-5,11-methanobenzo[g]thiazolo[2,3-d][1,3,5]oxadiazocine-13-carboxylate?
The CAS number of (Z)-methyl 2-((1-ethyl-1H-pyrazol-4-yl)methylene)-5-methyl-1-oxo-1,2,5,11-tetrahydro-5,11-methanobenzo[g]thiazolo[2,3-d][1,3,5]oxadiazocine-13-carboxylate is 1025568-70-0.
What is the molecular formula of (Z)-methyl 2-((1-ethyl-1H-pyrazol-4-yl)methylene)-5-methyl-1-oxo-1,2,5,11-tetrahydro-5,11-methanobenzo[g]thiazolo[2,3-d][1,3,5]oxadiazocine-13-carboxylate?
The molecular formula of (Z)-methyl 2-((1-ethyl-1H-pyrazol-4-yl)methylene)-5-methyl-1-oxo-1,2,5,11-tetrahydro-5,11-methanobenzo[g]thiazolo[2,3-d][1,3,5]oxadiazocine-13-carboxylate is C21H20N4O4S.
What is the molecular weight of (Z)-methyl 2-((1-ethyl-1H-pyrazol-4-yl)methylene)-5-methyl-1-oxo-1,2,5,11-tetrahydro-5,11-methanobenzo[g]thiazolo[2,3-d][1,3,5]oxadiazocine-13-carboxylate?
The molecular weight of (Z)-methyl 2-((1-ethyl-1H-pyrazol-4-yl)methylene)-5-methyl-1-oxo-1,2,5,11-tetrahydro-5,11-methanobenzo[g]thiazolo[2,3-d][1,3,5]oxadiazocine-13-carboxylate is 424.12 g/mol.
Where can I buy (Z)-methyl 2-((1-ethyl-1H-pyrazol-4-yl)methylene)-5-methyl-1-oxo-1,2,5,11-tetrahydro-5,11-methanobenzo[g]thiazolo[2,3-d][1,3,5]oxadiazocine-13-carboxylate?
You can request a quote for (Z)-methyl 2-((1-ethyl-1H-pyrazol-4-yl)methylene)-5-methyl-1-oxo-1,2,5,11-tetrahydro-5,11-methanobenzo[g]thiazolo[2,3-d][1,3,5]oxadiazocine-13-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 2-((1-ethyl-1H-pyrazol-4-yl)methylene)-5-methyl-1-oxo-1,2,5,11-tetrahydro-5,11-methanobenzo[g]thiazolo[2,3-d][1,3,5]oxadiazocine-13-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 2-((1-ethyl-1H-pyrazol-4-yl)methylene)-5-methyl-1-oxo-1,2,5,11-tetrahydro-5,11-methanobenzo[g]thiazolo[2,3-d][1,3,5]oxadiazocine-13-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.