![Difluoro[(3-{[(4-phenylpiperazinyl)thioxomethyl]amino}phenyl)sulfonyl]methane structure](/static/products/6902/690249-47-9.webp)
Difluoro[(3-{[(4-phenylpiperazinyl)thioxomethyl]amino}phenyl)sulfonyl]methane
TL;DR: Difluoro[(3-{[(4-phenylpiperazinyl)thioxomethyl]amino}phenyl)sulfonyl]methane (CAS 690249-47-9) is a chemical compound with molecular formula C18H19F2N3O2S2 and molecular weight 411.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(difluoromethylsulfonyl)phenyl]-4-phenylpiperazine-1-carbothioamide
Also Known As: N-(3-DIFLUOROMETHANESULFONYLPHENYL)-4-PHENYLPIPERAZINE-1-CARBOTHIOAMIDE, difluoro[(3-{[(4-phenylpiperazinyl)thioxomethyl]amino}phenyl)sulfonyl]methane, N-[3-(difluoromethylsulfonyl)phenyl]-4-phenylpiperazine-1-carbothioamide, N-(3-((difluoromethyl)sulfonyl)phenyl)-4-phenylpiperazine-1-carbothioamide, N-{3-[(difluoromethyl)sulfonyl]phenyl}-4-phenylpiperazine-1-carbothioamide
| Molecular Formula | C18H19F2N3O2S2 |
|---|---|
| Molecular Weight | 411.09 g/mol |
| LogP | 3.2019 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.08868 |
| Heavy Atoms | 27 |
| Complexity | 899.8326 |
Chemical Identifiers
| CAS Number | 690249-47-9 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=S)NC3=CC(=CC=C3)S(=O)(=O)C(F)F |
Product Overview
Difluoro[(3-{[(4-phenylpiperazinyl)thioxomethyl]amino}phenyl)sulfonyl]methane (CAS 690249-47-9), with molecular formula C18H19F2N3O2S2 and molecular weight 411.09 g/mol. IUPAC: N-[3-(difluoromethylsulfonyl)phenyl]-4-phenylpiperazine-1-carbothioamide.
Chemical Property Profile of Difluoro[(3-{[(4-phenylpiperazinyl)thioxomethyl]amino}phenyl)sulfonyl]methane
Property Insights of Difluoro[(3-{[(4-phenylpiperazinyl)thioxomethyl]amino}phenyl)sulfonyl]methane
The XLogP value of 3.2019 indicates that Difluoro[(3-{[(4-phenylpiperazinyl)thioxomethyl]amino}phenyl)sulfonyl]methane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.65 Ų, Difluoro[(3-{[(4-phenylpiperazinyl)thioxomethyl]amino}phenyl)sulfonyl]methane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Difluoro[(3-{[(4-phenylpiperazinyl)thioxomethyl]amino}phenyl)sulfonyl]methane has 1 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 Difluoro[(3-{[(4-phenylpiperazinyl)thioxomethyl]amino}phenyl)sulfonyl]methane?
The CAS number of Difluoro[(3-{[(4-phenylpiperazinyl)thioxomethyl]amino}phenyl)sulfonyl]methane is 690249-47-9.
What is the molecular formula of Difluoro[(3-{[(4-phenylpiperazinyl)thioxomethyl]amino}phenyl)sulfonyl]methane?
The molecular formula of Difluoro[(3-{[(4-phenylpiperazinyl)thioxomethyl]amino}phenyl)sulfonyl]methane is C18H19F2N3O2S2.
What is the molecular weight of Difluoro[(3-{[(4-phenylpiperazinyl)thioxomethyl]amino}phenyl)sulfonyl]methane?
The molecular weight of Difluoro[(3-{[(4-phenylpiperazinyl)thioxomethyl]amino}phenyl)sulfonyl]methane is 411.09 g/mol.
Where can I buy Difluoro[(3-{[(4-phenylpiperazinyl)thioxomethyl]amino}phenyl)sulfonyl]methane?
You can request a quote for Difluoro[(3-{[(4-phenylpiperazinyl)thioxomethyl]amino}phenyl)sulfonyl]methane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Difluoro[(3-{[(4-phenylpiperazinyl)thioxomethyl]amino}phenyl)sulfonyl]methane?
Yes, KEHONG BIO provides custom synthesis services for Difluoro[(3-{[(4-phenylpiperazinyl)thioxomethyl]amino}phenyl)sulfonyl]methane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.