1-Phenyl-3-methyl-4-benzoylpyrazol-5-thion
TL;DR: 1-Phenyl-3-methyl-4-benzoylpyrazol-5-thion (CAS 79071-33-3) is a chemical compound with molecular formula C17H14N2OS and molecular weight 294.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazol-4-yl)-phenylmethanone
Also Known As: 1-Phenyl-3-methyl-4-benzoylpyrazol-5-thion, NCI60_005693, 1-Phenyl-3-methyl-4-benzoyl-pyrazol-5-thion, 3-methyl-1-phenyl-5-sulfanylpyrazol-4-yl phenyl ketone, (5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazol-4-yl)-phenylmethanone
| Molecular Formula | C17H14N2OS |
|---|---|
| Molecular Weight | 294.08 g/mol |
| LogP | 4.07431 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.08267 |
| Heavy Atoms | 21 |
| Complexity | 832.23157 |
Chemical Identifiers
| CAS Number | 79071-33-3 |
|---|---|
| SMILES | CC1=C(C(=S)N(N1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3 |
Product Overview
1-Phenyl-3-methyl-4-benzoylpyrazol-5-thion (CAS 79071-33-3), with molecular formula C17H14N2OS and molecular weight 294.08 g/mol. IUPAC: (5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazol-4-yl)-phenylmethanone.
Chemical Property Profile of 1-Phenyl-3-methyl-4-benzoylpyrazol-5-thion
Property Insights of 1-Phenyl-3-methyl-4-benzoylpyrazol-5-thion
The XLogP value of 4.07431 indicates that 1-Phenyl-3-methyl-4-benzoylpyrazol-5-thion is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, 1-Phenyl-3-methyl-4-benzoylpyrazol-5-thion exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-3-methyl-4-benzoylpyrazol-5-thion 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 1-Phenyl-3-methyl-4-benzoylpyrazol-5-thion?
The CAS number of 1-Phenyl-3-methyl-4-benzoylpyrazol-5-thion is 79071-33-3.
What is the molecular formula of 1-Phenyl-3-methyl-4-benzoylpyrazol-5-thion?
The molecular formula of 1-Phenyl-3-methyl-4-benzoylpyrazol-5-thion is C17H14N2OS.
What is the molecular weight of 1-Phenyl-3-methyl-4-benzoylpyrazol-5-thion?
The molecular weight of 1-Phenyl-3-methyl-4-benzoylpyrazol-5-thion is 294.08 g/mol.
Where can I buy 1-Phenyl-3-methyl-4-benzoylpyrazol-5-thion?
You can request a quote for 1-Phenyl-3-methyl-4-benzoylpyrazol-5-thion directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-3-methyl-4-benzoylpyrazol-5-thion?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-3-methyl-4-benzoylpyrazol-5-thion and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.