![N'-[(E)-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide structure](/static/products/444/444927-88-2.png)
N'-[(E)-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
TL;DR: N'-[(E)-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide (CAS 444927-88-2) is a chemical compound with molecular formula C24H22FN3O5S and molecular weight 483.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: N'-[(E)-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide, N-((1E)-2-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}-1-azavinyl)-4, 5,6,7-tetrahydrobenzo[b]thiophen-3-ylcarboxamide, N-[(E)-[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C24H22FN3O5S |
|---|---|
| Molecular Weight | 483.13 g/mol |
| LogP | 5.0257 |
| Topological Polar Surface Area | 103.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 483.12643 |
| Heavy Atoms | 34 |
| Complexity | 1257.4006 |
Chemical Identifiers
| CAS Number | 444927-88-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=N/NC(=O)C2=CSC3=C2CCCC3)COC4=C(C=CC(=C4)F)[N+](=O)[O-] |
Product Overview
N'-[(E)-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide (CAS 444927-88-2), with molecular formula C24H22FN3O5S and molecular weight 483.13 g/mol. IUPAC: N-[(E)-[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of N'-[(E)-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
Property Insights of N'-[(E)-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
The XLogP value of 5.0257 indicates that N'-[(E)-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-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 N'-[(E)-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide. Following Lipinski's Rule of Five, N'-[(E)-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide 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 N'-[(E)-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide?
The CAS number of N'-[(E)-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide is 444927-88-2.
What is the molecular formula of N'-[(E)-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide?
The molecular formula of N'-[(E)-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide is C24H22FN3O5S.
What is the molecular weight of N'-[(E)-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide?
The molecular weight of N'-[(E)-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide is 483.13 g/mol.
Where can I buy N'-[(E)-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide?
You can request a quote for N'-[(E)-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-[(E)-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for N'-[(E)-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.