N-(3-chloro-4-fluorophenyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide
TL;DR: N-(3-chloro-4-fluorophenyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide (CAS 519015-84-0) is a chemical compound with molecular formula C16H16ClFN4S and molecular weight 350.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide
Also Known As: N-(3-chloro-4-fluorophenyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide, N-(3-chloro-4-fluorophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide, N-(3-chloro-4-fluorophenyl)-4-(pyridin-2-yl)piperazine-1-carbothioamide, N-(3-CHLORO-4-FLUOROPHENYL)-4-(2-PYRIDYL)TETRAHYDRO-1(2H)-PYRAZINECARBOTHIOAMIDE
| Molecular Formula | C16H16ClFN4S |
|---|---|
| Molecular Weight | 350.08 g/mol |
| LogP | 3.3931 |
| Topological Polar Surface Area | 31.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.0768 |
| Heavy Atoms | 23 |
| Complexity | 689.7345 |
Chemical Identifiers
| CAS Number | 519015-84-0 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=CC(=C(C=C3)F)Cl |
Product Overview
N-(3-chloro-4-fluorophenyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide (CAS 519015-84-0), with molecular formula C16H16ClFN4S and molecular weight 350.08 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide.
Chemical Property Profile of N-(3-chloro-4-fluorophenyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide
Property Insights of N-(3-chloro-4-fluorophenyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide
The XLogP value of 3.3931 indicates that N-(3-chloro-4-fluorophenyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.4 Ų, N-(3-chloro-4-fluorophenyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chloro-4-fluorophenyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide 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 N-(3-chloro-4-fluorophenyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide?
The CAS number of N-(3-chloro-4-fluorophenyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide is 519015-84-0.
What is the molecular formula of N-(3-chloro-4-fluorophenyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide?
The molecular formula of N-(3-chloro-4-fluorophenyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide is C16H16ClFN4S.
What is the molecular weight of N-(3-chloro-4-fluorophenyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide?
The molecular weight of N-(3-chloro-4-fluorophenyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide is 350.08 g/mol.
Where can I buy N-(3-chloro-4-fluorophenyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide?
You can request a quote for N-(3-chloro-4-fluorophenyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chloro-4-fluorophenyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-fluorophenyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.