3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
TL;DR: 3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 406713-40-4) is a chemical compound with molecular formula C24H22BrN3O2S and molecular weight 495.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide
Also Known As: 3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide, 3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-N-phenyl-4,5-dihydropyrazole-1-carbothioamide, 5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide
| Molecular Formula | C24H22BrN3O2S |
|---|---|
| Molecular Weight | 495.06 g/mol |
| LogP | 6.0144 |
| Topological Polar Surface Area | 46.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 495.0616 |
| Heavy Atoms | 31 |
| Complexity | 1103.5671 |
Chemical Identifiers
| CAS Number | 406713-40-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)C2CC(=NN2C(=S)NC3=CC=CC=C3)C4=CC=C(C=C4)Br |
Product Overview
3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 406713-40-4), with molecular formula C24H22BrN3O2S and molecular weight 495.06 g/mol. IUPAC: 5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide.
Chemical Property Profile of 3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Property Insights of 3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
The XLogP value of 6.0144 indicates that 3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.09 Ų, 3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide 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 3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The CAS number of 3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is 406713-40-4.
What is the molecular formula of 3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular formula of 3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is C24H22BrN3O2S.
What is the molecular weight of 3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular weight of 3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is 495.06 g/mol.
Where can I buy 3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
You can request a quote for 3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.