N-(4-butan-2-ylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide
TL;DR: N-(4-butan-2-ylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide (CAS 708227-48-9) is a chemical compound with molecular formula C20H29N3O2S and molecular weight 375.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-butan-2-ylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide
Also Known As: N-(4-butan-2-ylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide, 4-({[4-(methylpropyl)phenyl]amino}thioxomethyl)piperazinyl oxolan-2-yl ketone, N-[4-(butan-2-yl)phenyl]-4-(tetrahydrofuran-2-ylcarbonyl)piperazine-1-carbothioamide
| Molecular Formula | C20H29N3O2S |
|---|---|
| Molecular Weight | 375.20 g/mol |
| LogP | 3.2201 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.19806 |
| Heavy Atoms | 26 |
| Complexity | 620.44836 |
Chemical Identifiers
| CAS Number | 708227-48-9 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3CCCO3 |
Product Overview
N-(4-butan-2-ylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide (CAS 708227-48-9), with molecular formula C20H29N3O2S and molecular weight 375.20 g/mol. IUPAC: N-(4-butan-2-ylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide.
Chemical Property Profile of N-(4-butan-2-ylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide
Property Insights of N-(4-butan-2-ylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide
The XLogP value of 3.2201 indicates that N-(4-butan-2-ylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.81 Ų, N-(4-butan-2-ylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-butan-2-ylphenyl)-4-(oxolane-2-carbonyl)piperazine-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 N-(4-butan-2-ylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide?
The CAS number of N-(4-butan-2-ylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide is 708227-48-9.
What is the molecular formula of N-(4-butan-2-ylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide?
The molecular formula of N-(4-butan-2-ylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide is C20H29N3O2S.
What is the molecular weight of N-(4-butan-2-ylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide?
The molecular weight of N-(4-butan-2-ylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide is 375.20 g/mol.
Where can I buy N-(4-butan-2-ylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide?
You can request a quote for N-(4-butan-2-ylphenyl)-4-(oxolane-2-carbonyl)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 N-(4-butan-2-ylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-butan-2-ylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.