5-(4-bromophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
TL;DR: 5-(4-bromophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 369394-69-4) is a chemical compound with molecular formula C17H16BrN3S and molecular weight 373.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-N-methyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide
Also Known As: 5-(4-bromophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide, 3-(4-bromophenyl)-N-methyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide, methyl-5-(p-bromophenyl)-3-phenyl-2-pyrazoline-1-carbothioamide
| Molecular Formula | C17H16BrN3S |
|---|---|
| Molecular Weight | 373.02 g/mol |
| LogP | 4.1045 |
| Topological Polar Surface Area | 27.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 373.02484 |
| Heavy Atoms | 22 |
| Complexity | 697.6038 |
Chemical Identifiers
| CAS Number | 369394-69-4 |
|---|---|
| SMILES | CNC(=S)N1C(CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)Br |
Product Overview
5-(4-bromophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 369394-69-4), with molecular formula C17H16BrN3S and molecular weight 373.02 g/mol. IUPAC: 3-(4-bromophenyl)-N-methyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide.
Chemical Property Profile of 5-(4-bromophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Property Insights of 5-(4-bromophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
The XLogP value of 4.1045 indicates that 5-(4-bromophenyl)-N-methyl-3-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 27.63 Ų, 5-(4-bromophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-bromophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(4-bromophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The CAS number of 5-(4-bromophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is 369394-69-4.
What is the molecular formula of 5-(4-bromophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular formula of 5-(4-bromophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is C17H16BrN3S.
What is the molecular weight of 5-(4-bromophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular weight of 5-(4-bromophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is 373.02 g/mol.
Where can I buy 5-(4-bromophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
You can request a quote for 5-(4-bromophenyl)-N-methyl-3-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 5-(4-bromophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-bromophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.