4-(3-CHLOROPHENYL)-N-(3-DIFLUOROMETHANESULFONYLPHENYL)PIPERAZINE-1-CARBOTHIOAMIDE
TL;DR: 4-(3-CHLOROPHENYL)-N-(3-DIFLUOROMETHANESULFONYLPHENYL)PIPERAZINE-1-CARBOTHIOAMIDE (CAS 690249-48-0) is a chemical compound with molecular formula C18H18ClF2N3O2S2 and molecular weight 445.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chlorophenyl)-N-[3-(difluoromethylsulfonyl)phenyl]piperazine-1-carbothioamide
Also Known As: 4-(3-CHLOROPHENYL)-N-(3-DIFLUOROMETHANESULFONYLPHENYL)PIPERAZINE-1-CARBOTHIOAMIDE, 4-(3-chlorophenyl)-N-[3-(difluoromethylsulfonyl)phenyl]piperazine-1-carbothioamide, {[3-({[4-(3-chlorophenyl)piperazinyl]thioxomethyl}amino)phenyl]sulfonyl}difluo romethane, 4-(3-chlorophenyl)-N-(3-((difluoromethyl)sulfonyl)phenyl)piperazine-1-carbothioamide, 4-(3-chlorophenyl)-N-{3-[(difluoromethyl)sulfonyl]phenyl}piperazine-1-carbothioamide
| Molecular Formula | C18H18ClF2N3O2S2 |
|---|---|
| Molecular Weight | 445.05 g/mol |
| LogP | 3.8553 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.0497 |
| Heavy Atoms | 28 |
| Complexity | 964.808 |
Chemical Identifiers
| CAS Number | 690249-48-0 |
|---|---|
| SMILES | C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)NC3=CC(=CC=C3)S(=O)(=O)C(F)F |
Product Overview
4-(3-CHLOROPHENYL)-N-(3-DIFLUOROMETHANESULFONYLPHENYL)PIPERAZINE-1-CARBOTHIOAMIDE (CAS 690249-48-0), with molecular formula C18H18ClF2N3O2S2 and molecular weight 445.05 g/mol. IUPAC: 4-(3-chlorophenyl)-N-[3-(difluoromethylsulfonyl)phenyl]piperazine-1-carbothioamide.
Chemical Property Profile of 4-(3-CHLOROPHENYL)-N-(3-DIFLUOROMETHANESULFONYLPHENYL)PIPERAZINE-1-CARBOTHIOAMIDE
Property Insights of 4-(3-CHLOROPHENYL)-N-(3-DIFLUOROMETHANESULFONYLPHENYL)PIPERAZINE-1-CARBOTHIOAMIDE
The XLogP value of 3.8553 indicates that 4-(3-CHLOROPHENYL)-N-(3-DIFLUOROMETHANESULFONYLPHENYL)PIPERAZINE-1-CARBOTHIOAMIDE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.65 Ų, 4-(3-CHLOROPHENYL)-N-(3-DIFLUOROMETHANESULFONYLPHENYL)PIPERAZINE-1-CARBOTHIOAMIDE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-CHLOROPHENYL)-N-(3-DIFLUOROMETHANESULFONYLPHENYL)PIPERAZINE-1-CARBOTHIOAMIDE 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 4-(3-CHLOROPHENYL)-N-(3-DIFLUOROMETHANESULFONYLPHENYL)PIPERAZINE-1-CARBOTHIOAMIDE?
The CAS number of 4-(3-CHLOROPHENYL)-N-(3-DIFLUOROMETHANESULFONYLPHENYL)PIPERAZINE-1-CARBOTHIOAMIDE is 690249-48-0.
What is the molecular formula of 4-(3-CHLOROPHENYL)-N-(3-DIFLUOROMETHANESULFONYLPHENYL)PIPERAZINE-1-CARBOTHIOAMIDE?
The molecular formula of 4-(3-CHLOROPHENYL)-N-(3-DIFLUOROMETHANESULFONYLPHENYL)PIPERAZINE-1-CARBOTHIOAMIDE is C18H18ClF2N3O2S2.
What is the molecular weight of 4-(3-CHLOROPHENYL)-N-(3-DIFLUOROMETHANESULFONYLPHENYL)PIPERAZINE-1-CARBOTHIOAMIDE?
The molecular weight of 4-(3-CHLOROPHENYL)-N-(3-DIFLUOROMETHANESULFONYLPHENYL)PIPERAZINE-1-CARBOTHIOAMIDE is 445.05 g/mol.
Where can I buy 4-(3-CHLOROPHENYL)-N-(3-DIFLUOROMETHANESULFONYLPHENYL)PIPERAZINE-1-CARBOTHIOAMIDE?
You can request a quote for 4-(3-CHLOROPHENYL)-N-(3-DIFLUOROMETHANESULFONYLPHENYL)PIPERAZINE-1-CARBOTHIOAMIDE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-CHLOROPHENYL)-N-(3-DIFLUOROMETHANESULFONYLPHENYL)PIPERAZINE-1-CARBOTHIOAMIDE?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-CHLOROPHENYL)-N-(3-DIFLUOROMETHANESULFONYLPHENYL)PIPERAZINE-1-CARBOTHIOAMIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.