3-(4-methoxyphenyl)-N,5-diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
TL;DR: 3-(4-methoxyphenyl)-N,5-diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 461396-75-8) is a chemical compound with molecular formula C23H21N3OS and molecular weight 387.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methoxyphenyl)-N,3-diphenyl-3,4-dihydropyrazole-2-carbothioamide
Also Known As: 3-(4-methoxyphenyl)-N,5-diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide, 5-(4-methoxyphenyl)-N,3-diphenyl-3,4-dihydropyrazole-2-carbothioamide
| Molecular Formula | C23H21N3OS |
|---|---|
| Molecular Weight | 387.14 g/mol |
| LogP | 5.2433 |
| Topological Polar Surface Area | 36.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.14053 |
| Heavy Atoms | 28 |
| Complexity | 971.74884 |
Chemical Identifiers
| CAS Number | 461396-75-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3)C(=S)NC4=CC=CC=C4 |
Product Overview
3-(4-methoxyphenyl)-N,5-diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 461396-75-8), with molecular formula C23H21N3OS and molecular weight 387.14 g/mol. IUPAC: 5-(4-methoxyphenyl)-N,3-diphenyl-3,4-dihydropyrazole-2-carbothioamide.
Chemical Property Profile of 3-(4-methoxyphenyl)-N,5-diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Property Insights of 3-(4-methoxyphenyl)-N,5-diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
The XLogP value of 5.2433 indicates that 3-(4-methoxyphenyl)-N,5-diphenyl-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 36.86 Ų, 3-(4-methoxyphenyl)-N,5-diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-methoxyphenyl)-N,5-diphenyl-4,5-dihydro-1H-pyrazole-1-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-methoxyphenyl)-N,5-diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The CAS number of 3-(4-methoxyphenyl)-N,5-diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is 461396-75-8.
What is the molecular formula of 3-(4-methoxyphenyl)-N,5-diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular formula of 3-(4-methoxyphenyl)-N,5-diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is C23H21N3OS.
What is the molecular weight of 3-(4-methoxyphenyl)-N,5-diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular weight of 3-(4-methoxyphenyl)-N,5-diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is 387.14 g/mol.
Where can I buy 3-(4-methoxyphenyl)-N,5-diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
You can request a quote for 3-(4-methoxyphenyl)-N,5-diphenyl-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 3-(4-methoxyphenyl)-N,5-diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-methoxyphenyl)-N,5-diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.