3-(4-fluorophenyl)-N-(2-phenylethyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide
TL;DR: 3-(4-fluorophenyl)-N-(2-phenylethyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide (CAS 438482-46-3) is a chemical compound with molecular formula C22H20FN3S2 and molecular weight 409.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-N-(2-phenylethyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide
Also Known As: 3-(4-fluorophenyl)-N-(2-phenylethyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide, 3-(4-fluorophenyl)-N-phenethyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide, 5-(4-fluorophenyl)-N-phenethyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide, 5-(4-fluorophenyl)-N-(2-phenylethyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
| Molecular Formula | C22H20FN3S2 |
|---|---|
| Molecular Weight | 409.11 g/mol |
| LogP | 5.1555 |
| Topological Polar Surface Area | 27.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.10828 |
| Heavy Atoms | 28 |
| Complexity | 953.21655 |
Chemical Identifiers
| CAS Number | 438482-46-3 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=CS2)C(=S)NCCC3=CC=CC=C3)C4=CC=C(C=C4)F |
Product Overview
3-(4-fluorophenyl)-N-(2-phenylethyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide (CAS 438482-46-3), with molecular formula C22H20FN3S2 and molecular weight 409.11 g/mol. IUPAC: 3-(4-fluorophenyl)-N-(2-phenylethyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide.
Chemical Property Profile of 3-(4-fluorophenyl)-N-(2-phenylethyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide
Property Insights of 3-(4-fluorophenyl)-N-(2-phenylethyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide
The XLogP value of 5.1555 indicates that 3-(4-fluorophenyl)-N-(2-phenylethyl)-5-thiophen-2-yl-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 27.63 Ų, 3-(4-fluorophenyl)-N-(2-phenylethyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-fluorophenyl)-N-(2-phenylethyl)-5-thiophen-2-yl-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-(4-fluorophenyl)-N-(2-phenylethyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide?
The CAS number of 3-(4-fluorophenyl)-N-(2-phenylethyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide is 438482-46-3.
What is the molecular formula of 3-(4-fluorophenyl)-N-(2-phenylethyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide?
The molecular formula of 3-(4-fluorophenyl)-N-(2-phenylethyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide is C22H20FN3S2.
What is the molecular weight of 3-(4-fluorophenyl)-N-(2-phenylethyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide?
The molecular weight of 3-(4-fluorophenyl)-N-(2-phenylethyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide is 409.11 g/mol.
Where can I buy 3-(4-fluorophenyl)-N-(2-phenylethyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide?
You can request a quote for 3-(4-fluorophenyl)-N-(2-phenylethyl)-5-thiophen-2-yl-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-(4-fluorophenyl)-N-(2-phenylethyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-fluorophenyl)-N-(2-phenylethyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.