1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbaldehyde O-(4-methylbenzyl)oxime
TL;DR: 1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbaldehyde O-(4-methylbenzyl)oxime (CAS 321998-31-6) is a chemical compound with molecular formula C25H23N3OS and molecular weight 413.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methylphenyl)methoxy]-1-(1-methyl-3-phenyl-5-phenylsulfanylpyrazol-4-yl)methanimine
Also Known As: 1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbaldehyde O-(4-methylbenzyl)oxime, N-[(4-methylphenyl)methoxy]-1-(1-methyl-3-phenyl-5-phenylsulfanylpyrazol-4-yl)methanimine
| Molecular Formula | C25H23N3OS |
|---|---|
| Molecular Weight | 413.16 g/mol |
| LogP | 6.09742 |
| Topological Polar Surface Area | 39.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.1562 |
| Heavy Atoms | 30 |
| Complexity | 1120.5397 |
Chemical Identifiers
| CAS Number | 321998-31-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CON=CC2=C(N(N=C2C3=CC=CC=C3)C)SC4=CC=CC=C4 |
Product Overview
1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbaldehyde O-(4-methylbenzyl)oxime (CAS 321998-31-6), with molecular formula C25H23N3OS and molecular weight 413.16 g/mol. IUPAC: N-[(4-methylphenyl)methoxy]-1-(1-methyl-3-phenyl-5-phenylsulfanylpyrazol-4-yl)methanimine.
Chemical Property Profile of 1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbaldehyde O-(4-methylbenzyl)oxime
Property Insights of 1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbaldehyde O-(4-methylbenzyl)oxime
The XLogP value of 6.09742 indicates that 1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbaldehyde O-(4-methylbenzyl)oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.41 Ų, 1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbaldehyde O-(4-methylbenzyl)oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbaldehyde O-(4-methylbenzyl)oxime has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbaldehyde O-(4-methylbenzyl)oxime?
The CAS number of 1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbaldehyde O-(4-methylbenzyl)oxime is 321998-31-6.
What is the molecular formula of 1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbaldehyde O-(4-methylbenzyl)oxime?
The molecular formula of 1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbaldehyde O-(4-methylbenzyl)oxime is C25H23N3OS.
What is the molecular weight of 1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbaldehyde O-(4-methylbenzyl)oxime?
The molecular weight of 1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbaldehyde O-(4-methylbenzyl)oxime is 413.16 g/mol.
Where can I buy 1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbaldehyde O-(4-methylbenzyl)oxime?
You can request a quote for 1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbaldehyde O-(4-methylbenzyl)oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbaldehyde O-(4-methylbenzyl)oxime?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbaldehyde O-(4-methylbenzyl)oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.