4-benzyl-N-butan-2-ylpiperazine-1-carbothioamide
TL;DR: 4-benzyl-N-butan-2-ylpiperazine-1-carbothioamide (CAS 460336-41-8) is a chemical compound with molecular formula C16H25N3S and molecular weight 291.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-N-butan-2-ylpiperazine-1-carbothioamide
Also Known As: ASN 05211964, 4-benzyl-N-(butan-2-yl)piperazine-1-carbothioamide, 4-benzyl-N-butan-2-ylpiperazine-1-carbothioamide, 4-Benzyl-piperazine-1-carbothioic acid sec-butylamide, ((methylpropyl)amino)(4-benzylpiperazinyl)methane-1-thione
| Molecular Formula | C16H25N3S |
|---|---|
| Molecular Weight | 291.18 g/mol |
| LogP | 2.4772 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.1769 |
| Heavy Atoms | 20 |
| Complexity | 412.99 |
Chemical Identifiers
| CAS Number | 460336-41-8 |
|---|---|
| SMILES | CCC(C)NC(=S)N1CCN(CC1)CC2=CC=CC=C2 |
Product Overview
4-benzyl-N-butan-2-ylpiperazine-1-carbothioamide (CAS 460336-41-8), with molecular formula C16H25N3S and molecular weight 291.18 g/mol. IUPAC: 4-benzyl-N-butan-2-ylpiperazine-1-carbothioamide.
Chemical Property Profile of 4-benzyl-N-butan-2-ylpiperazine-1-carbothioamide
Property Insights of 4-benzyl-N-butan-2-ylpiperazine-1-carbothioamide
The XLogP value of 2.4772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-benzyl-N-butan-2-ylpiperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 18.51 Ų, 4-benzyl-N-butan-2-ylpiperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzyl-N-butan-2-ylpiperazine-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 4-benzyl-N-butan-2-ylpiperazine-1-carbothioamide?
The CAS number of 4-benzyl-N-butan-2-ylpiperazine-1-carbothioamide is 460336-41-8.
What is the molecular formula of 4-benzyl-N-butan-2-ylpiperazine-1-carbothioamide?
The molecular formula of 4-benzyl-N-butan-2-ylpiperazine-1-carbothioamide is C16H25N3S.
What is the molecular weight of 4-benzyl-N-butan-2-ylpiperazine-1-carbothioamide?
The molecular weight of 4-benzyl-N-butan-2-ylpiperazine-1-carbothioamide is 291.18 g/mol.
Where can I buy 4-benzyl-N-butan-2-ylpiperazine-1-carbothioamide?
You can request a quote for 4-benzyl-N-butan-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 4-benzyl-N-butan-2-ylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyl-N-butan-2-ylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.