1-(1,3-diphenyl-1H-pyrazole-4-carbothioyl)piperidine
TL;DR: 1-(1,3-diphenyl-1H-pyrazole-4-carbothioyl)piperidine (CAS 312746-22-8) is a chemical compound with molecular formula C21H21N3S and molecular weight 347.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-diphenylpyrazol-4-yl)-piperidin-1-ylmethanethione
Also Known As: 1-(1,3-diphenyl-1H-pyrazole-4-carbothioyl)piperidine, UPCMLD0ENAT5294616:001, (1,3-diphenylpyrazol-4-yl)-piperidin-1-ylmethanethione, (1,3-diphenyl-1H-pyrazol-4-yl)(piperidin-1-yl)methanethione, (1,3-diphenylpyrazol-4-yl)piperidylmethane-1-thione
| Molecular Formula | C21H21N3S |
|---|---|
| Molecular Weight | 347.15 g/mol |
| LogP | 4.7007 |
| Topological Polar Surface Area | 21.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.14563 |
| Heavy Atoms | 25 |
| Complexity | 849.36237 |
Chemical Identifiers
| CAS Number | 312746-22-8 |
|---|---|
| SMILES | C1CCN(CC1)C(=S)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
1-(1,3-diphenyl-1H-pyrazole-4-carbothioyl)piperidine (CAS 312746-22-8), with molecular formula C21H21N3S and molecular weight 347.15 g/mol. IUPAC: (1,3-diphenylpyrazol-4-yl)-piperidin-1-ylmethanethione.
Chemical Property Profile of 1-(1,3-diphenyl-1H-pyrazole-4-carbothioyl)piperidine
Property Insights of 1-(1,3-diphenyl-1H-pyrazole-4-carbothioyl)piperidine
The XLogP value of 4.7007 indicates that 1-(1,3-diphenyl-1H-pyrazole-4-carbothioyl)piperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.06 Ų, 1-(1,3-diphenyl-1H-pyrazole-4-carbothioyl)piperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-diphenyl-1H-pyrazole-4-carbothioyl)piperidine has 0 hydrogen bond donor(s) and 2 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 1-(1,3-diphenyl-1H-pyrazole-4-carbothioyl)piperidine?
The CAS number of 1-(1,3-diphenyl-1H-pyrazole-4-carbothioyl)piperidine is 312746-22-8.
What is the molecular formula of 1-(1,3-diphenyl-1H-pyrazole-4-carbothioyl)piperidine?
The molecular formula of 1-(1,3-diphenyl-1H-pyrazole-4-carbothioyl)piperidine is C21H21N3S.
What is the molecular weight of 1-(1,3-diphenyl-1H-pyrazole-4-carbothioyl)piperidine?
The molecular weight of 1-(1,3-diphenyl-1H-pyrazole-4-carbothioyl)piperidine is 347.15 g/mol.
Where can I buy 1-(1,3-diphenyl-1H-pyrazole-4-carbothioyl)piperidine?
You can request a quote for 1-(1,3-diphenyl-1H-pyrazole-4-carbothioyl)piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-diphenyl-1H-pyrazole-4-carbothioyl)piperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-diphenyl-1H-pyrazole-4-carbothioyl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.