3,5-Diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
TL;DR: 3,5-Diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 29338-66-7) is a chemical compound with molecular formula C16H15N3S and molecular weight 281.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-diphenyl-3,4-dihydropyrazole-2-carbothioamide
Also Known As: TimTec1_003712, 3,5-Diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide, BAS 02718247, 1-thiocarbamoyl-3,5-diphenyl-2-pyrazoline, 3,5-Diphenyl-2-pyrazoline-1-carbothioamide
| Molecular Formula | C16H15N3S |
|---|---|
| Molecular Weight | 281.10 g/mol |
| LogP | 3.0813 |
| Topological Polar Surface Area | 41.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.09866 |
| Heavy Atoms | 20 |
| Complexity | 637.28625 |
Chemical Identifiers
| CAS Number | 29338-66-7 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=CC=C2)C(=S)N)C3=CC=CC=C3 |
Product Overview
3,5-Diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 29338-66-7), with molecular formula C16H15N3S and molecular weight 281.10 g/mol. IUPAC: 3,5-diphenyl-3,4-dihydropyrazole-2-carbothioamide.
Chemical Property Profile of 3,5-Diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Property Insights of 3,5-Diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
The XLogP value of 3.0813 indicates that 3,5-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 41.62 Ų, 3,5-Diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide has 1 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 3,5-Diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The CAS number of 3,5-Diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is 29338-66-7.
What is the molecular formula of 3,5-Diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular formula of 3,5-Diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is C16H15N3S.
What is the molecular weight of 3,5-Diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular weight of 3,5-Diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is 281.10 g/mol.
Where can I buy 3,5-Diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
You can request a quote for 3,5-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 3,5-Diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.