(4-((4-bromophenyl)thio)-3,5-dimethyl-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone
TL;DR: (4-((4-bromophenyl)thio)-3,5-dimethyl-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone (CAS 394237-46-8) is a chemical compound with molecular formula C21H21BrN2O4S and molecular weight 476.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-bromophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
Also Known As: (4-((4-bromophenyl)thio)-3,5-dimethyl-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone, AE-641/40793490, 4-[(4-bromophenyl)sulfanyl]-3,5-dimethyl-1-(3,4,5-trimethoxybenzoyl)-1H-pyrazole, F0755-0185, [4-(4-bromophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
| Molecular Formula | C21H21BrN2O4S |
|---|---|
| Molecular Weight | 476.04 g/mol |
| LogP | 5.12794 |
| Topological Polar Surface Area | 62.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.04053 |
| Heavy Atoms | 29 |
| Complexity | 1022.57495 |
Chemical Identifiers
| CAS Number | 394237-46-8 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C)SC3=CC=C(C=C3)Br |
Product Overview
(4-((4-bromophenyl)thio)-3,5-dimethyl-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone (CAS 394237-46-8), with molecular formula C21H21BrN2O4S and molecular weight 476.04 g/mol. IUPAC: [4-(4-bromophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone.
Chemical Property Profile of (4-((4-bromophenyl)thio)-3,5-dimethyl-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone
Property Insights of (4-((4-bromophenyl)thio)-3,5-dimethyl-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone
The XLogP value of 5.12794 indicates that (4-((4-bromophenyl)thio)-3,5-dimethyl-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.58 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-((4-bromophenyl)thio)-3,5-dimethyl-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone. Following Lipinski's Rule of Five, (4-((4-bromophenyl)thio)-3,5-dimethyl-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)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 (4-((4-bromophenyl)thio)-3,5-dimethyl-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone?
The CAS number of (4-((4-bromophenyl)thio)-3,5-dimethyl-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone is 394237-46-8.
What is the molecular formula of (4-((4-bromophenyl)thio)-3,5-dimethyl-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone?
The molecular formula of (4-((4-bromophenyl)thio)-3,5-dimethyl-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone is C21H21BrN2O4S.
What is the molecular weight of (4-((4-bromophenyl)thio)-3,5-dimethyl-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone?
The molecular weight of (4-((4-bromophenyl)thio)-3,5-dimethyl-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone is 476.04 g/mol.
Where can I buy (4-((4-bromophenyl)thio)-3,5-dimethyl-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone?
You can request a quote for (4-((4-bromophenyl)thio)-3,5-dimethyl-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-((4-bromophenyl)thio)-3,5-dimethyl-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-((4-bromophenyl)thio)-3,5-dimethyl-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.