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N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide structure
Fine Chemical

N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide

TL;DR: N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide (CAS 1008454-41-8) is a chemical compound with molecular formula C17H21N3O2S and molecular weight 331.13544 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide

Also Known As: F0561-0325, N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide, N-{2-tert-butyl-5-oxo-2H,4H,6H-5lambda4-thieno[3,4-c]pyrazol-3-yl}-2-methylbenzamide, N-(2-(tert-butyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide, N-(2-tert-butyl-5-oxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide

CAS Number
1008454-41-8
Molecular Formula
C17H21N3O2S
Molecular Weight
331.13544 g/mol
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Technical Specifications

Molecular FormulaC17H21N3O2S
Molecular Weight331.13544 g/mol
XLogP1.4
Topological Polar Surface Area (TPSA)83.2 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors4
Rotatable Bonds3
Exact Mass331.13544 Da
Heavy Atoms23
Complexity491.0
SMILESCC1=CC=CC=C1C(=O)NC2=C3CS(=O)CC3=NN2C(C)(C)C
InChIKeyKWYQVVSEHQCCIW-UHFFFAOYSA-N

Chemical Property Profile of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide

XLogP
1.4
TPSA (Topological Polar Surface Area)
83.2
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
Rotatable Bonds
3
Heavy Atoms
23
Complexity
491.0
Exact Mass
331.13544
Monoisotopic Mass
331.13544
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide

The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide. Following Lipinski's Rule of Five, N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide?

The CAS number of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide is 1008454-41-8.

What is the molecular formula of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide?

The molecular formula of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide is C17H21N3O2S.

What is the molecular weight of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide?

The molecular weight of N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide is 331.13544 g/mol.

Where can I buy N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide?

You can request a quote for N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide?

Yes, CoreyChem provides custom synthesis services for N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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