5-(3,4-dimethoxyphenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
TL;DR: 5-(3,4-dimethoxyphenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 394238-72-3) is a chemical compound with molecular formula C19H21N3O2S and molecular weight 355.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-N-methyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide
Also Known As: 5-(3,4-dimethoxyphenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide, F0769-0007, 3-(3,4-dimethoxyphenyl)-N-methyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide
| Molecular Formula | C19H21N3O2S |
|---|---|
| Molecular Weight | 355.14 g/mol |
| LogP | 3.3592 |
| Topological Polar Surface Area | 46.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.13544 |
| Heavy Atoms | 25 |
| Complexity | 792.51117 |
Chemical Identifiers
| CAS Number | 394238-72-3 |
|---|---|
| SMILES | CNC(=S)N1C(CC(=N1)C2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC |
Product Overview
5-(3,4-dimethoxyphenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 394238-72-3), with molecular formula C19H21N3O2S and molecular weight 355.14 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-N-methyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide.
Chemical Property Profile of 5-(3,4-dimethoxyphenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Property Insights of 5-(3,4-dimethoxyphenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
The XLogP value of 3.3592 indicates that 5-(3,4-dimethoxyphenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-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, 5-(3,4-dimethoxyphenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3,4-dimethoxyphenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide has 1 hydrogen bond donor(s) and 4 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 5-(3,4-dimethoxyphenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The CAS number of 5-(3,4-dimethoxyphenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is 394238-72-3.
What is the molecular formula of 5-(3,4-dimethoxyphenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular formula of 5-(3,4-dimethoxyphenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is C19H21N3O2S.
What is the molecular weight of 5-(3,4-dimethoxyphenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular weight of 5-(3,4-dimethoxyphenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is 355.14 g/mol.
Where can I buy 5-(3,4-dimethoxyphenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
You can request a quote for 5-(3,4-dimethoxyphenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,4-dimethoxyphenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,4-dimethoxyphenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.