![1-(3-chloro-1-benzothiophene-2-carbonyl)-3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazole structure](/static/products/3942/394237-38-8.webp)
1-(3-chloro-1-benzothiophene-2-carbonyl)-3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazole
TL;DR: 1-(3-chloro-1-benzothiophene-2-carbonyl)-3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazole (CAS 394237-38-8) is a chemical compound with molecular formula C21H17ClN2OS2 and molecular weight 412.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-1-benzothiophen-2-yl)-[3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazol-1-yl]methanone
Also Known As: 1-(3-chloro-1-benzothiophene-2-carbonyl)-3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazole, F0755-0180, (3-chlorobenzo[b]thiophen-2-yl)(3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)methanone, (3-chloro-1-benzothiophen-2-yl)-[3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazol-1-yl]methanone, (3-chlorobenzothiophen-2-yl)-[3,5-dimethyl-4-(4-methylphenyl)sulfanyl-pyrazol-1-yl]methanone
| Molecular Formula | C21H17ClN2OS2 |
|---|---|
| Molecular Weight | 412.05 g/mol |
| LogP | 6.51616 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.0471 |
| Heavy Atoms | 27 |
| Complexity | 1159.11 |
Chemical Identifiers
| CAS Number | 394237-38-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(=O)C3=C(C4=CC=CC=C4S3)Cl)C |
Product Overview
1-(3-chloro-1-benzothiophene-2-carbonyl)-3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazole (CAS 394237-38-8), with molecular formula C21H17ClN2OS2 and molecular weight 412.05 g/mol. IUPAC: (3-chloro-1-benzothiophen-2-yl)-[3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazol-1-yl]methanone.
Chemical Property Profile of 1-(3-chloro-1-benzothiophene-2-carbonyl)-3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazole
Property Insights of 1-(3-chloro-1-benzothiophene-2-carbonyl)-3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazole
The XLogP value of 6.51616 indicates that 1-(3-chloro-1-benzothiophene-2-carbonyl)-3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 1-(3-chloro-1-benzothiophene-2-carbonyl)-3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-chloro-1-benzothiophene-2-carbonyl)-3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazole has 0 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 1-(3-chloro-1-benzothiophene-2-carbonyl)-3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazole?
The CAS number of 1-(3-chloro-1-benzothiophene-2-carbonyl)-3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazole is 394237-38-8.
What is the molecular formula of 1-(3-chloro-1-benzothiophene-2-carbonyl)-3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazole?
The molecular formula of 1-(3-chloro-1-benzothiophene-2-carbonyl)-3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazole is C21H17ClN2OS2.
What is the molecular weight of 1-(3-chloro-1-benzothiophene-2-carbonyl)-3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazole?
The molecular weight of 1-(3-chloro-1-benzothiophene-2-carbonyl)-3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazole is 412.05 g/mol.
Where can I buy 1-(3-chloro-1-benzothiophene-2-carbonyl)-3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazole?
You can request a quote for 1-(3-chloro-1-benzothiophene-2-carbonyl)-3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-chloro-1-benzothiophene-2-carbonyl)-3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-chloro-1-benzothiophene-2-carbonyl)-3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.