![(3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)methanone structure](/static/products/958/958587-29-6.png)
(3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)methanone
TL;DR: (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)methanone (CAS 958587-29-6) is a chemical compound with molecular formula C20H19N3O3S2 and molecular weight 413.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-dimethyl-4-(2-nitrophenyl)sulfanylpyrazol-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
Also Known As: (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)methanone, 3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-1H-pyrazole, F1148-0097, [3,5-dimethyl-4-(2-nitrophenyl)sulfanylpyrazol-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
| Molecular Formula | C20H19N3O3S2 |
|---|---|
| Molecular Weight | 413.09 g/mol |
| LogP | 5.18814 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.0868 |
| Heavy Atoms | 28 |
| Complexity | 1061.0541 |
Chemical Identifiers
| CAS Number | 958587-29-6 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=O)C2=CC3=C(S2)CCCC3)C)SC4=CC=CC=C4[N+](=O)[O-] |
Product Overview
(3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)methanone (CAS 958587-29-6), with molecular formula C20H19N3O3S2 and molecular weight 413.09 g/mol. IUPAC: [3,5-dimethyl-4-(2-nitrophenyl)sulfanylpyrazol-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone.
Chemical Property Profile of (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)methanone
Property Insights of (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)methanone
The XLogP value of 5.18814 indicates that (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)methanone. Following Lipinski's Rule of Five, (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)methanone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)methanone?
The CAS number of (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)methanone is 958587-29-6.
What is the molecular formula of (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)methanone?
The molecular formula of (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)methanone is C20H19N3O3S2.
What is the molecular weight of (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)methanone?
The molecular weight of (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)methanone is 413.09 g/mol.
Where can I buy (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)methanone?
You can request a quote for (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3,5-dimethyl-4-((2-nitrophenyl)thio)-1H-pyrazol-1-yl)(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.