N-(4-butan-2-ylphenyl)-4-propylpiperazine-1-carbothioamide
TL;DR: N-(4-butan-2-ylphenyl)-4-propylpiperazine-1-carbothioamide (CAS 706775-03-3) is a chemical compound with molecular formula C18H29N3S and molecular weight 319.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-butan-2-ylphenyl)-4-propylpiperazine-1-carbothioamide
Also Known As: N-(4-butan-2-ylphenyl)-4-propylpiperazine-1-carbothioamide, N-[4-(butan-2-yl)phenyl]-4-propylpiperazine-1-carbothioamide, N-(4-butan-2-ylphenyl)-4-propyl-piperazine-1-carbothioamide, {[4-(methylpropyl)phenyl]amino}(4-propylpiperazinyl)methane-1-thione
| Molecular Formula | C18H29N3S |
|---|---|
| Molecular Weight | 319.21 g/mol |
| LogP | 3.9245 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.20822 |
| Heavy Atoms | 22 |
| Complexity | 463.72556 |
Chemical Identifiers
| CAS Number | 706775-03-3 |
|---|---|
| SMILES | CCCN1CCN(CC1)C(=S)NC2=CC=C(C=C2)C(C)CC |
Product Overview
N-(4-butan-2-ylphenyl)-4-propylpiperazine-1-carbothioamide (CAS 706775-03-3), with molecular formula C18H29N3S and molecular weight 319.21 g/mol. IUPAC: N-(4-butan-2-ylphenyl)-4-propylpiperazine-1-carbothioamide.
Chemical Property Profile of N-(4-butan-2-ylphenyl)-4-propylpiperazine-1-carbothioamide
Property Insights of N-(4-butan-2-ylphenyl)-4-propylpiperazine-1-carbothioamide
The XLogP value of 3.9245 indicates that N-(4-butan-2-ylphenyl)-4-propylpiperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.51 Ų, N-(4-butan-2-ylphenyl)-4-propylpiperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-butan-2-ylphenyl)-4-propylpiperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 2 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-propylpiperazine-1-carbothioamide?
The CAS number of N-(4-butan-2-ylphenyl)-4-propylpiperazine-1-carbothioamide is 706775-03-3.
What is the molecular formula of N-(4-butan-2-ylphenyl)-4-propylpiperazine-1-carbothioamide?
The molecular formula of N-(4-butan-2-ylphenyl)-4-propylpiperazine-1-carbothioamide is C18H29N3S.
What is the molecular weight of N-(4-butan-2-ylphenyl)-4-propylpiperazine-1-carbothioamide?
The molecular weight of N-(4-butan-2-ylphenyl)-4-propylpiperazine-1-carbothioamide is 319.21 g/mol.
Where can I buy N-(4-butan-2-ylphenyl)-4-propylpiperazine-1-carbothioamide?
You can request a quote for N-(4-butan-2-ylphenyl)-4-propylpiperazine-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-propylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-butan-2-ylphenyl)-4-propylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.