![6-tert-butyl-N-cyclohexyl-2-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide structure](/static/products/522/522596-52-7.png)
6-tert-butyl-N-cyclohexyl-2-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
TL;DR: 6-tert-butyl-N-cyclohexyl-2-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 522596-52-7) is a chemical compound with molecular formula C26H38N4OS and molecular weight 454.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-N-cyclohexyl-2-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 6-tert-butyl-N-cyclohexyl-2-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 6-tert-butyl-N-cyclohexyl-2-{[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 6-tert-butyl-N-cyclohexyl-2-{[(E)-(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, {2-[(1E)-2-(1-ethyl-5-methylpyrazol-4-yl)-1-azavinyl]-6-(tert-butyl)(4,5,6,7-t etrahydrobenzo[b]thiophen-3-yl)}-N-cyclohexylcarboxamide
| Molecular Formula | C26H38N4OS |
|---|---|
| Molecular Weight | 454.28 g/mol |
| LogP | 6.23702 |
| Topological Polar Surface Area | 59.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.27664 |
| Heavy Atoms | 32 |
| Complexity | 988.36957 |
Chemical Identifiers
| CAS Number | 522596-52-7 |
|---|---|
| SMILES | CCN1C(=C(C=N1)/C=N/C2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)NC4CCCCC4)C |
Product Overview
6-tert-butyl-N-cyclohexyl-2-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 522596-52-7), with molecular formula C26H38N4OS and molecular weight 454.28 g/mol. IUPAC: 6-tert-butyl-N-cyclohexyl-2-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of 6-tert-butyl-N-cyclohexyl-2-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Property Insights of 6-tert-butyl-N-cyclohexyl-2-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
The XLogP value of 6.23702 indicates that 6-tert-butyl-N-cyclohexyl-2-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.28 Ų, 6-tert-butyl-N-cyclohexyl-2-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-tert-butyl-N-cyclohexyl-2-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-tert-butyl-N-cyclohexyl-2-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The CAS number of 6-tert-butyl-N-cyclohexyl-2-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 522596-52-7.
What is the molecular formula of 6-tert-butyl-N-cyclohexyl-2-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular formula of 6-tert-butyl-N-cyclohexyl-2-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C26H38N4OS.
What is the molecular weight of 6-tert-butyl-N-cyclohexyl-2-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular weight of 6-tert-butyl-N-cyclohexyl-2-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 454.28 g/mol.
Where can I buy 6-tert-butyl-N-cyclohexyl-2-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
You can request a quote for 6-tert-butyl-N-cyclohexyl-2-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-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 6-tert-butyl-N-cyclohexyl-2-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 6-tert-butyl-N-cyclohexyl-2-[(E)-(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.