![1-[2-(Methylsulfanyl)pyridine-3-carbonyl]-4-phenylpiperazine structure](/static/products/7824/782458-75-7.webp)
1-[2-(Methylsulfanyl)pyridine-3-carbonyl]-4-phenylpiperazine
TL;DR: 1-[2-(Methylsulfanyl)pyridine-3-carbonyl]-4-phenylpiperazine (CAS 782458-75-7) is a chemical compound with molecular formula C17H19N3OS and molecular weight 313.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylsulfanyl-3-pyridinyl)-(4-phenylpiperazin-1-yl)methanone
Also Known As: 1-[2-(methylsulfanyl)pyridine-3-carbonyl]-4-phenylpiperazine, (2-methylsulfanylpyridin-3-yl)-(4-phenylpiperazin-1-yl)methanone
| Molecular Formula | C17H19N3OS |
|---|---|
| Molecular Weight | 313.12 g/mol |
| LogP | 2.7659 |
| Topological Polar Surface Area | 36.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.12488 |
| Heavy Atoms | 22 |
| Complexity | 639.3621 |
Chemical Identifiers
| CAS Number | 782458-75-7 |
|---|---|
| SMILES | CSC1=C(C=CC=N1)C(=O)N2CCN(CC2)C3=CC=CC=C3 |
Product Overview
1-[2-(Methylsulfanyl)pyridine-3-carbonyl]-4-phenylpiperazine (CAS 782458-75-7), with molecular formula C17H19N3OS and molecular weight 313.12 g/mol. IUPAC: (2-methylsulfanyl-3-pyridinyl)-(4-phenylpiperazin-1-yl)methanone.
Chemical Property Profile of 1-[2-(Methylsulfanyl)pyridine-3-carbonyl]-4-phenylpiperazine
Property Insights of 1-[2-(Methylsulfanyl)pyridine-3-carbonyl]-4-phenylpiperazine
The XLogP value of 2.7659 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-(Methylsulfanyl)pyridine-3-carbonyl]-4-phenylpiperazine. With a topological polar surface area (TPSA) of 36.44 Ų, 1-[2-(Methylsulfanyl)pyridine-3-carbonyl]-4-phenylpiperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-(Methylsulfanyl)pyridine-3-carbonyl]-4-phenylpiperazine has 0 hydrogen bond donor(s) and 4 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-[2-(Methylsulfanyl)pyridine-3-carbonyl]-4-phenylpiperazine?
The CAS number of 1-[2-(Methylsulfanyl)pyridine-3-carbonyl]-4-phenylpiperazine is 782458-75-7.
What is the molecular formula of 1-[2-(Methylsulfanyl)pyridine-3-carbonyl]-4-phenylpiperazine?
The molecular formula of 1-[2-(Methylsulfanyl)pyridine-3-carbonyl]-4-phenylpiperazine is C17H19N3OS.
What is the molecular weight of 1-[2-(Methylsulfanyl)pyridine-3-carbonyl]-4-phenylpiperazine?
The molecular weight of 1-[2-(Methylsulfanyl)pyridine-3-carbonyl]-4-phenylpiperazine is 313.12 g/mol.
Where can I buy 1-[2-(Methylsulfanyl)pyridine-3-carbonyl]-4-phenylpiperazine?
You can request a quote for 1-[2-(Methylsulfanyl)pyridine-3-carbonyl]-4-phenylpiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-(Methylsulfanyl)pyridine-3-carbonyl]-4-phenylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(Methylsulfanyl)pyridine-3-carbonyl]-4-phenylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.