![N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-3-carboxamide structure](/static/products/515/515175-81-2.png)
N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-3-carboxamide
TL;DR: N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-3-carboxamide (CAS 515175-81-2) is a chemical compound with molecular formula C23H22N4O2S and molecular weight 418.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-3-carboxamide
Also Known As: N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-3-carboxamide, N'-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-1-benzothiophene-3-carbohydrazide, N'-[(E)-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene]-1-benzothiophene-3-carbohydrazide, N-((1E)-2-{3-[(3,5-dimethylpyrazolyl)methyl]-4-methoxyphenyl}-1-azavinyl)benzo [b]thiophen-3-ylcarboxamide
| Molecular Formula | C23H22N4O2S |
|---|---|
| Molecular Weight | 418.15 g/mol |
| LogP | 4.53544 |
| Topological Polar Surface Area | 68.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.14636 |
| Heavy Atoms | 30 |
| Complexity | 1239.2207 |
Chemical Identifiers
| CAS Number | 515175-81-2 |
|---|---|
| SMILES | CC1=CC(=NN1CC2=C(C=CC(=C2)/C=N/NC(=O)C3=CSC4=CC=CC=C43)OC)C |
Product Overview
N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-3-carboxamide (CAS 515175-81-2), with molecular formula C23H22N4O2S and molecular weight 418.15 g/mol. IUPAC: N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-3-carboxamide.
Chemical Property Profile of N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-3-carboxamide
Property Insights of N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-3-carboxamide
The XLogP value of 4.53544 indicates that N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.51 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-3-carboxamide. Following Lipinski's Rule of Five, N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-3-carboxamide has 1 hydrogen bond donor(s) and 5 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 N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-3-carboxamide?
The CAS number of N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-3-carboxamide is 515175-81-2.
What is the molecular formula of N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-3-carboxamide?
The molecular formula of N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-3-carboxamide is C23H22N4O2S.
What is the molecular weight of N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-3-carboxamide?
The molecular weight of N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-3-carboxamide is 418.15 g/mol.
Where can I buy N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-3-carboxamide?
You can request a quote for N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-3-carboxamide 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-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-1-benzothiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.