3-(furan-2-yl)-5-(4-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide
TL;DR: 3-(furan-2-yl)-5-(4-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide (CAS 701229-52-9) is a chemical compound with molecular formula C21H19N3OS and molecular weight 361.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-yl)-5-(4-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide
Also Known As: 3-(furan-2-yl)-5-(4-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide, 5-(2-furyl)-3-(4-methylphenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide, 5-(furan-2-yl)-3-(4-methylphenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide, 5-(furan-2-yl)-N-phenyl-3-(p-tolyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
| Molecular Formula | C21H19N3OS |
|---|---|
| Molecular Weight | 361.12 g/mol |
| LogP | 5.13612 |
| Topological Polar Surface Area | 40.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.12488 |
| Heavy Atoms | 26 |
| Complexity | 917.6596 |
Chemical Identifiers
| CAS Number | 701229-52-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=S)NC4=CC=CC=C4 |
Product Overview
3-(furan-2-yl)-5-(4-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide (CAS 701229-52-9), with molecular formula C21H19N3OS and molecular weight 361.12 g/mol. IUPAC: 3-(furan-2-yl)-5-(4-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide.
Chemical Property Profile of 3-(furan-2-yl)-5-(4-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide
Property Insights of 3-(furan-2-yl)-5-(4-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide
The XLogP value of 5.13612 indicates that 3-(furan-2-yl)-5-(4-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.77 Ų, 3-(furan-2-yl)-5-(4-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(furan-2-yl)-5-(4-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(furan-2-yl)-5-(4-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide?
The CAS number of 3-(furan-2-yl)-5-(4-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide is 701229-52-9.
What is the molecular formula of 3-(furan-2-yl)-5-(4-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide?
The molecular formula of 3-(furan-2-yl)-5-(4-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide is C21H19N3OS.
What is the molecular weight of 3-(furan-2-yl)-5-(4-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide?
The molecular weight of 3-(furan-2-yl)-5-(4-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide is 361.12 g/mol.
Where can I buy 3-(furan-2-yl)-5-(4-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide?
You can request a quote for 3-(furan-2-yl)-5-(4-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(furan-2-yl)-5-(4-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(furan-2-yl)-5-(4-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.