1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbonitrile
TL;DR: 1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbonitrile (CAS 321998-24-7) is a chemical compound with molecular formula C17H13N3S and molecular weight 291.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-phenyl-5-phenylsulfanylpyrazole-4-carbonitrile
Also Known As: 10L-569S, 1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbonitrile, 1-methyl-3-phenyl-5-phenylsulfanylpyrazole-4-carbonitrile
| Molecular Formula | C17H13N3S |
|---|---|
| Molecular Weight | 291.08 g/mol |
| LogP | 4.10998 |
| Topological Polar Surface Area | 41.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.083 |
| Heavy Atoms | 21 |
| Complexity | 786.1526 |
Chemical Identifiers
| CAS Number | 321998-24-7 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C2=CC=CC=C2)C#N)SC3=CC=CC=C3 |
Product Overview
1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbonitrile (CAS 321998-24-7), with molecular formula C17H13N3S and molecular weight 291.08 g/mol. IUPAC: 1-methyl-3-phenyl-5-phenylsulfanylpyrazole-4-carbonitrile.
Chemical Property Profile of 1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbonitrile
Property Insights of 1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbonitrile
The XLogP value of 4.10998 indicates that 1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.61 Ų, 1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbonitrile 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-carbonitrile has 0 hydrogen bond donor(s) and 3 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-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbonitrile?
The CAS number of 1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbonitrile is 321998-24-7.
What is the molecular formula of 1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbonitrile?
The molecular formula of 1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbonitrile is C17H13N3S.
What is the molecular weight of 1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbonitrile?
The molecular weight of 1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbonitrile is 291.08 g/mol.
Where can I buy 1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbonitrile?
You can request a quote for 1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbonitrile 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-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.