1-Sec-butyl-4-(2-thienylcarbonyl)piperazine
TL;DR: 1-Sec-butyl-4-(2-thienylcarbonyl)piperazine (CAS 462604-38-2) is a chemical compound with molecular formula C13H20N2OS and molecular weight 252.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-butan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone
Also Known As: 1-sec-butyl-4-(2-thienylcarbonyl)piperazine, BAS 04057285, 4-(methylpropyl)piperazinyl 2-thienyl ketone, (4-butan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone, AT-057/43316686
| Molecular Formula | C13H20N2OS |
|---|---|
| Molecular Weight | 252.13 g/mol |
| LogP | 2.3044 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.12964 |
| Heavy Atoms | 17 |
| Complexity | 355.5062 |
Chemical Identifiers
| CAS Number | 462604-38-2 |
|---|---|
| SMILES | CCC(C)N1CCN(CC1)C(=O)C2=CC=CS2 |
Product Overview
1-Sec-butyl-4-(2-thienylcarbonyl)piperazine (CAS 462604-38-2), with molecular formula C13H20N2OS and molecular weight 252.13 g/mol. IUPAC: (4-butan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone.
Chemical Property Profile of 1-Sec-butyl-4-(2-thienylcarbonyl)piperazine
Property Insights of 1-Sec-butyl-4-(2-thienylcarbonyl)piperazine
The XLogP value of 2.3044 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Sec-butyl-4-(2-thienylcarbonyl)piperazine. With a topological polar surface area (TPSA) of 23.55 Ų, 1-Sec-butyl-4-(2-thienylcarbonyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Sec-butyl-4-(2-thienylcarbonyl)piperazine has 0 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 1-Sec-butyl-4-(2-thienylcarbonyl)piperazine?
The CAS number of 1-Sec-butyl-4-(2-thienylcarbonyl)piperazine is 462604-38-2.
What is the molecular formula of 1-Sec-butyl-4-(2-thienylcarbonyl)piperazine?
The molecular formula of 1-Sec-butyl-4-(2-thienylcarbonyl)piperazine is C13H20N2OS.
What is the molecular weight of 1-Sec-butyl-4-(2-thienylcarbonyl)piperazine?
The molecular weight of 1-Sec-butyl-4-(2-thienylcarbonyl)piperazine is 252.13 g/mol.
Where can I buy 1-Sec-butyl-4-(2-thienylcarbonyl)piperazine?
You can request a quote for 1-Sec-butyl-4-(2-thienylcarbonyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Sec-butyl-4-(2-thienylcarbonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Sec-butyl-4-(2-thienylcarbonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.