N-benzyl-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide
TL;DR: N-benzyl-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide (CAS 438482-43-0) is a chemical compound with molecular formula C21H18FN3S2 and molecular weight 395.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide
Also Known As: N-benzyl-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide, N-benzyl-5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
| Molecular Formula | C21H18FN3S2 |
|---|---|
| Molecular Weight | 395.09 g/mol |
| LogP | 5.113 |
| Topological Polar Surface Area | 27.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.09262 |
| Heavy Atoms | 27 |
| Complexity | 937.32764 |
Chemical Identifiers
| CAS Number | 438482-43-0 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=CS2)C(=S)NCC3=CC=CC=C3)C4=CC=C(C=C4)F |
Product Overview
N-benzyl-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide (CAS 438482-43-0), with molecular formula C21H18FN3S2 and molecular weight 395.09 g/mol. IUPAC: N-benzyl-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide.
Chemical Property Profile of N-benzyl-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide
Property Insights of N-benzyl-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide
The XLogP value of 5.113 indicates that N-benzyl-3-(4-fluorophenyl)-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, N-benzyl-3-(4-fluorophenyl)-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, N-benzyl-3-(4-fluorophenyl)-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 N-benzyl-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide?
The CAS number of N-benzyl-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide is 438482-43-0.
What is the molecular formula of N-benzyl-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide?
The molecular formula of N-benzyl-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide is C21H18FN3S2.
What is the molecular weight of N-benzyl-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide?
The molecular weight of N-benzyl-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide is 395.09 g/mol.
Where can I buy N-benzyl-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide?
You can request a quote for N-benzyl-3-(4-fluorophenyl)-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 N-benzyl-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.