2,6-difluoro-N-(4-phenylpiperazine-1-carbothioyl)benzamide
TL;DR: 2,6-difluoro-N-(4-phenylpiperazine-1-carbothioyl)benzamide (CAS 497060-84-1) is a chemical compound with molecular formula C18H17F2N3OS and molecular weight 361.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-difluoro-N-(4-phenylpiperazine-1-carbothioyl)benzamide
Also Known As: 2,6-difluoro-N-(4-phenylpiperazine-1-carbothioyl)benzamide, AO-990/15068186, 2,6-difluoro-N-[(4-phenyl-1-piperazinyl)carbothioyl]benzamide, (2,6-DIFLUOROPHENYL)-N-((4-PHENYLPIPERAZINYL)THIOXOMETHYL)FORMAMIDE, 2,6-Difluoro-N-(4-phenylpiperazine-1-carbonothioyl)benzamide
| Molecular Formula | C18H17F2N3OS |
|---|---|
| Molecular Weight | 361.11 g/mol |
| LogP | 2.8017 |
| Topological Polar Surface Area | 35.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 361.10605 |
| Heavy Atoms | 25 |
| Complexity | 756.89557 |
Chemical Identifiers
| CAS Number | 497060-84-1 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=S)NC(=O)C3=C(C=CC=C3F)F |
Product Overview
2,6-difluoro-N-(4-phenylpiperazine-1-carbothioyl)benzamide (CAS 497060-84-1), with molecular formula C18H17F2N3OS and molecular weight 361.11 g/mol. IUPAC: 2,6-difluoro-N-(4-phenylpiperazine-1-carbothioyl)benzamide.
Chemical Property Profile of 2,6-difluoro-N-(4-phenylpiperazine-1-carbothioyl)benzamide
Property Insights of 2,6-difluoro-N-(4-phenylpiperazine-1-carbothioyl)benzamide
The XLogP value of 2.8017 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-difluoro-N-(4-phenylpiperazine-1-carbothioyl)benzamide. With a topological polar surface area (TPSA) of 35.58 Ų, 2,6-difluoro-N-(4-phenylpiperazine-1-carbothioyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-difluoro-N-(4-phenylpiperazine-1-carbothioyl)benzamide has 1 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 2,6-difluoro-N-(4-phenylpiperazine-1-carbothioyl)benzamide?
The CAS number of 2,6-difluoro-N-(4-phenylpiperazine-1-carbothioyl)benzamide is 497060-84-1.
What is the molecular formula of 2,6-difluoro-N-(4-phenylpiperazine-1-carbothioyl)benzamide?
The molecular formula of 2,6-difluoro-N-(4-phenylpiperazine-1-carbothioyl)benzamide is C18H17F2N3OS.
What is the molecular weight of 2,6-difluoro-N-(4-phenylpiperazine-1-carbothioyl)benzamide?
The molecular weight of 2,6-difluoro-N-(4-phenylpiperazine-1-carbothioyl)benzamide is 361.11 g/mol.
Where can I buy 2,6-difluoro-N-(4-phenylpiperazine-1-carbothioyl)benzamide?
You can request a quote for 2,6-difluoro-N-(4-phenylpiperazine-1-carbothioyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-difluoro-N-(4-phenylpiperazine-1-carbothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2,6-difluoro-N-(4-phenylpiperazine-1-carbothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.