![7-tert-butyl-N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide structure](/static/products/355/355434-95-6.png)
7-tert-butyl-N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide
TL;DR: 7-tert-butyl-N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide (CAS 355434-95-6) is a chemical compound with molecular formula C18H19N3O5S and molecular weight 389.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Also Known As: 7-tert-butyl-N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide, (Z)-7-(tert-butyl)-N'-((5-nitrothiophen-2-yl)methylene)-2,3-dihydrobenzo[b][1,4]dioxine-2-carbohydrazide, 6-tert-butyl-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide, N-[(1Z)-2-(5-nitro(2-thienyl))-1-azavinyl][7-(tert-butyl)(2H,3H-benzo[e]1,4-di oxin-2-yl)]carboxamide
| Molecular Formula | C18H19N3O5S |
|---|---|
| Molecular Weight | 389.10 g/mol |
| LogP | 3.2439 |
| Topological Polar Surface Area | 103.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.10455 |
| Heavy Atoms | 27 |
| Complexity | 900.64233 |
Chemical Identifiers
| CAS Number | 355434-95-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)OCC(O2)C(=O)N/N=C\C3=CC=C(S3)[N+](=O)[O-] |
Product Overview
7-tert-butyl-N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide (CAS 355434-95-6), with molecular formula C18H19N3O5S and molecular weight 389.10 g/mol. IUPAC: 6-tert-butyl-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
Chemical Property Profile of 7-tert-butyl-N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide
Property Insights of 7-tert-butyl-N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide
The XLogP value of 3.2439 indicates that 7-tert-butyl-N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-tert-butyl-N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide. Following Lipinski's Rule of Five, 7-tert-butyl-N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide has 1 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 7-tert-butyl-N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide?
The CAS number of 7-tert-butyl-N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide is 355434-95-6.
What is the molecular formula of 7-tert-butyl-N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide?
The molecular formula of 7-tert-butyl-N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide is C18H19N3O5S.
What is the molecular weight of 7-tert-butyl-N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide?
The molecular weight of 7-tert-butyl-N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide is 389.10 g/mol.
Where can I buy 7-tert-butyl-N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide?
You can request a quote for 7-tert-butyl-N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-tert-butyl-N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 7-tert-butyl-N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.