1H-Pyrazole-1-carbothioamide, 4,5-dihydro-N,3-diphenyl-
TL;DR: 1H-Pyrazole-1-carbothioamide, 4,5-dihydro-N,3-diphenyl- (CAS 89652-17-5) 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.
N,5-diphenyl-3,4-dihydropyrazole-2-carbothioamide
Also Known As: ChemDiv3_001784, N,3-diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide, 1H-Pyrazole-1-carbothioamide, 4,5-dihydro-N,3-diphenyl-, IDI1_020750, N,5-diphenyl-3,4-dihydropyrazole-2-carbothioamide
| Molecular Formula | C16H15N3S |
|---|---|
| Molecular Weight | 281.10 g/mol |
| LogP | 3.4934 |
| Topological Polar Surface Area | 27.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.09866 |
| Heavy Atoms | 20 |
| Complexity | 622.68494 |
Chemical Identifiers
| CAS Number | 89652-17-5 |
|---|---|
| SMILES | C1CN(N=C1C2=CC=CC=C2)C(=S)NC3=CC=CC=C3 |
Product Overview
1H-Pyrazole-1-carbothioamide, 4,5-dihydro-N,3-diphenyl- (CAS 89652-17-5), with molecular formula C16H15N3S and molecular weight 281.10 g/mol. IUPAC: N,5-diphenyl-3,4-dihydropyrazole-2-carbothioamide.
Chemical Property Profile of 1H-Pyrazole-1-carbothioamide, 4,5-dihydro-N,3-diphenyl-
Property Insights of 1H-Pyrazole-1-carbothioamide, 4,5-dihydro-N,3-diphenyl-
The XLogP value of 3.4934 indicates that 1H-Pyrazole-1-carbothioamide, 4,5-dihydro-N,3-diphenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.63 Ų, 1H-Pyrazole-1-carbothioamide, 4,5-dihydro-N,3-diphenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrazole-1-carbothioamide, 4,5-dihydro-N,3-diphenyl- 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 1H-Pyrazole-1-carbothioamide, 4,5-dihydro-N,3-diphenyl-?
The CAS number of 1H-Pyrazole-1-carbothioamide, 4,5-dihydro-N,3-diphenyl- is 89652-17-5.
What is the molecular formula of 1H-Pyrazole-1-carbothioamide, 4,5-dihydro-N,3-diphenyl-?
The molecular formula of 1H-Pyrazole-1-carbothioamide, 4,5-dihydro-N,3-diphenyl- is C16H15N3S.
What is the molecular weight of 1H-Pyrazole-1-carbothioamide, 4,5-dihydro-N,3-diphenyl-?
The molecular weight of 1H-Pyrazole-1-carbothioamide, 4,5-dihydro-N,3-diphenyl- is 281.10 g/mol.
Where can I buy 1H-Pyrazole-1-carbothioamide, 4,5-dihydro-N,3-diphenyl-?
You can request a quote for 1H-Pyrazole-1-carbothioamide, 4,5-dihydro-N,3-diphenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole-1-carbothioamide, 4,5-dihydro-N,3-diphenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole-1-carbothioamide, 4,5-dihydro-N,3-diphenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.