3-(2,3-dimethoxyphenyl)-N-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide
TL;DR: 3-(2,3-dimethoxyphenyl)-N-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide (CAS 327979-96-4) is a chemical compound with molecular formula C22H21N3O2S2 and molecular weight 423.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,3-dimethoxyphenyl)-N-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide
Also Known As: 3-(2,3-dimethoxyphenyl)-N-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide, 5-(2,3-dimethoxyphenyl)-N-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide, 5-(2,3-dimethoxyphenyl)-N-phenyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide, 5-(2,3-dimethoxyphenyl)-N-phenyl-3-(2-thienyl)-2-pyrazoline-1-carbothioamide
| Molecular Formula | C22H21N3O2S2 |
|---|---|
| Molecular Weight | 423.11 g/mol |
| LogP | 5.3134 |
| Topological Polar Surface Area | 46.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.1075 |
| Heavy Atoms | 29 |
| Complexity | 1019.80133 |
Chemical Identifiers
| CAS Number | 327979-96-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)C2CC(=NN2C(=S)NC3=CC=CC=C3)C4=CC=CS4 |
Product Overview
3-(2,3-dimethoxyphenyl)-N-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide (CAS 327979-96-4), with molecular formula C22H21N3O2S2 and molecular weight 423.11 g/mol. IUPAC: 3-(2,3-dimethoxyphenyl)-N-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide.
Chemical Property Profile of 3-(2,3-dimethoxyphenyl)-N-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide
Property Insights of 3-(2,3-dimethoxyphenyl)-N-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide
The XLogP value of 5.3134 indicates that 3-(2,3-dimethoxyphenyl)-N-phenyl-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 46.09 Ų, 3-(2,3-dimethoxyphenyl)-N-phenyl-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-(2,3-dimethoxyphenyl)-N-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2,3-dimethoxyphenyl)-N-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide?
The CAS number of 3-(2,3-dimethoxyphenyl)-N-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide is 327979-96-4.
What is the molecular formula of 3-(2,3-dimethoxyphenyl)-N-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide?
The molecular formula of 3-(2,3-dimethoxyphenyl)-N-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide is C22H21N3O2S2.
What is the molecular weight of 3-(2,3-dimethoxyphenyl)-N-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide?
The molecular weight of 3-(2,3-dimethoxyphenyl)-N-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide is 423.11 g/mol.
Where can I buy 3-(2,3-dimethoxyphenyl)-N-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide?
You can request a quote for 3-(2,3-dimethoxyphenyl)-N-phenyl-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-(2,3-dimethoxyphenyl)-N-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,3-dimethoxyphenyl)-N-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.