(2S,5R)-2,5-dimethyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carbothioamide
TL;DR: (2S,5R)-2,5-dimethyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carbothioamide (CAS 6936-31-8) is a chemical compound with molecular formula C18H22N4S and molecular weight 326.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R)-2,5-dimethyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carbothioamide
Also Known As: (2S,5R)-2,5-dimethyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carbothioamide, (2S,5R)-2,5-dimethyl-N-phenyl-4-pyridin-2-ylpiperazine-1-car, (2S,5R)-2,5-Dimethyl-N-phenyl-4-(pyridin-2-yl)piperazine-1-carbothioamide
| Molecular Formula | C18H22N4S |
|---|---|
| Molecular Weight | 326.16 g/mol |
| LogP | 3.3776 |
| Topological Polar Surface Area | 31.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.15652 |
| Heavy Atoms | 23 |
| Complexity | 646.5859 |
Chemical Identifiers
| CAS Number | 6936-31-8 |
|---|---|
| SMILES | C[C@H]1CN([C@@H](CN1C(=S)NC2=CC=CC=C2)C)C3=CC=CC=N3 |
Product Overview
(2S,5R)-2,5-dimethyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carbothioamide (CAS 6936-31-8), with molecular formula C18H22N4S and molecular weight 326.16 g/mol. IUPAC: (2S,5R)-2,5-dimethyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carbothioamide.
Chemical Property Profile of (2S,5R)-2,5-dimethyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carbothioamide
Property Insights of (2S,5R)-2,5-dimethyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carbothioamide
The XLogP value of 3.3776 indicates that (2S,5R)-2,5-dimethyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.4 Ų, (2S,5R)-2,5-dimethyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S,5R)-2,5-dimethyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carbothioamide 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 (2S,5R)-2,5-dimethyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carbothioamide?
The CAS number of (2S,5R)-2,5-dimethyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carbothioamide is 6936-31-8.
What is the molecular formula of (2S,5R)-2,5-dimethyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carbothioamide?
The molecular formula of (2S,5R)-2,5-dimethyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carbothioamide is C18H22N4S.
What is the molecular weight of (2S,5R)-2,5-dimethyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carbothioamide?
The molecular weight of (2S,5R)-2,5-dimethyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carbothioamide is 326.16 g/mol.
Where can I buy (2S,5R)-2,5-dimethyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carbothioamide?
You can request a quote for (2S,5R)-2,5-dimethyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,5R)-2,5-dimethyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for (2S,5R)-2,5-dimethyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.