3-(3-Bromo-phenyl)-4-methyl-4,5-dihydro-pyrazole-1-carbothioic acid amide
TL;DR: 3-(3-Bromo-phenyl)-4-methyl-4,5-dihydro-pyrazole-1-carbothioic acid amide (CAS 443144-66-9) is a chemical compound with molecular formula C11H12BrN3S and molecular weight 296.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-bromophenyl)-4-methyl-3,4-dihydropyrazole-2-carbothioamide
Also Known As: 3-(3-bromophenyl)-4-methyl-2-pyrazoline-1-thiocarboxamide, 3-(3-bromophenyl)-4-methyl-4,5-dihydropyrazole-1-carbothioamide, 3-(3-Bromo-phenyl)-4-methyl-4,5-dihydro-pyrazole-1-carbothioic acid amide
| Molecular Formula | C11H12BrN3S |
|---|---|
| Molecular Weight | 296.99 g/mol |
| LogP | 2.3485 |
| Topological Polar Surface Area | 41.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.99353 |
| Heavy Atoms | 16 |
| Complexity | 458.29782 |
Chemical Identifiers
| CAS Number | 443144-66-9 |
|---|---|
| SMILES | CC1CN(N=C1C2=CC(=CC=C2)Br)C(=S)N |
Product Overview
3-(3-Bromo-phenyl)-4-methyl-4,5-dihydro-pyrazole-1-carbothioic acid amide (CAS 443144-66-9), with molecular formula C11H12BrN3S and molecular weight 296.99 g/mol. IUPAC: 5-(3-bromophenyl)-4-methyl-3,4-dihydropyrazole-2-carbothioamide.
Chemical Property Profile of 3-(3-Bromo-phenyl)-4-methyl-4,5-dihydro-pyrazole-1-carbothioic acid amide
Property Insights of 3-(3-Bromo-phenyl)-4-methyl-4,5-dihydro-pyrazole-1-carbothioic acid amide
The XLogP value of 2.3485 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Bromo-phenyl)-4-methyl-4,5-dihydro-pyrazole-1-carbothioic acid amide. With a topological polar surface area (TPSA) of 41.62 Ų, 3-(3-Bromo-phenyl)-4-methyl-4,5-dihydro-pyrazole-1-carbothioic acid amide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Bromo-phenyl)-4-methyl-4,5-dihydro-pyrazole-1-carbothioic acid amide 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 3-(3-Bromo-phenyl)-4-methyl-4,5-dihydro-pyrazole-1-carbothioic acid amide?
The CAS number of 3-(3-Bromo-phenyl)-4-methyl-4,5-dihydro-pyrazole-1-carbothioic acid amide is 443144-66-9.
What is the molecular formula of 3-(3-Bromo-phenyl)-4-methyl-4,5-dihydro-pyrazole-1-carbothioic acid amide?
The molecular formula of 3-(3-Bromo-phenyl)-4-methyl-4,5-dihydro-pyrazole-1-carbothioic acid amide is C11H12BrN3S.
What is the molecular weight of 3-(3-Bromo-phenyl)-4-methyl-4,5-dihydro-pyrazole-1-carbothioic acid amide?
The molecular weight of 3-(3-Bromo-phenyl)-4-methyl-4,5-dihydro-pyrazole-1-carbothioic acid amide is 296.99 g/mol.
Where can I buy 3-(3-Bromo-phenyl)-4-methyl-4,5-dihydro-pyrazole-1-carbothioic acid amide?
You can request a quote for 3-(3-Bromo-phenyl)-4-methyl-4,5-dihydro-pyrazole-1-carbothioic acid amide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Bromo-phenyl)-4-methyl-4,5-dihydro-pyrazole-1-carbothioic acid amide?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Bromo-phenyl)-4-methyl-4,5-dihydro-pyrazole-1-carbothioic acid amide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.