1-Piperazinecarbothioamide, 4-ethyl-N-(2-methylpropyl)-
TL;DR: 1-Piperazinecarbothioamide, 4-ethyl-N-(2-methylpropyl)- (CAS 461456-92-8) is a chemical compound with molecular formula C11H23N3S and molecular weight 229.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-N-(2-methylpropyl)piperazine-1-carbothioamide
Also Known As: ASN 04887146, 4-Ethyl-piperazine-1-carbothioic acid isobutyl-amide, 4-ethyl-N-(2-methylpropyl)piperazine-1-carbothioamide, 1-PIPERAZINECARBOTHIOAMIDE, 4-ETHYL-N-(2-METHYLPROPYL)-, 1-Piperazinecarbothioamide, 4-ethyl-N-(2-methylpropyl)- (9CI)
| Molecular Formula | C11H23N3S |
|---|---|
| Molecular Weight | 229.16 g/mol |
| LogP | 1.1544 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.16127 |
| Heavy Atoms | 15 |
| Complexity | 198.00972 |
Chemical Identifiers
| CAS Number | 461456-92-8 |
|---|---|
| SMILES | CCN1CCN(CC1)C(=S)NCC(C)C |
Product Overview
1-Piperazinecarbothioamide, 4-ethyl-N-(2-methylpropyl)- (CAS 461456-92-8), with molecular formula C11H23N3S and molecular weight 229.16 g/mol. IUPAC: 4-ethyl-N-(2-methylpropyl)piperazine-1-carbothioamide.
Chemical Property Profile of 1-Piperazinecarbothioamide, 4-ethyl-N-(2-methylpropyl)-
Property Insights of 1-Piperazinecarbothioamide, 4-ethyl-N-(2-methylpropyl)-
The XLogP value of 1.1544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazinecarbothioamide, 4-ethyl-N-(2-methylpropyl)-. With a topological polar surface area (TPSA) of 18.51 Ų, 1-Piperazinecarbothioamide, 4-ethyl-N-(2-methylpropyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazinecarbothioamide, 4-ethyl-N-(2-methylpropyl)- 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 1-Piperazinecarbothioamide, 4-ethyl-N-(2-methylpropyl)-?
The CAS number of 1-Piperazinecarbothioamide, 4-ethyl-N-(2-methylpropyl)- is 461456-92-8.
What is the molecular formula of 1-Piperazinecarbothioamide, 4-ethyl-N-(2-methylpropyl)-?
The molecular formula of 1-Piperazinecarbothioamide, 4-ethyl-N-(2-methylpropyl)- is C11H23N3S.
What is the molecular weight of 1-Piperazinecarbothioamide, 4-ethyl-N-(2-methylpropyl)-?
The molecular weight of 1-Piperazinecarbothioamide, 4-ethyl-N-(2-methylpropyl)- is 229.16 g/mol.
Where can I buy 1-Piperazinecarbothioamide, 4-ethyl-N-(2-methylpropyl)-?
You can request a quote for 1-Piperazinecarbothioamide, 4-ethyl-N-(2-methylpropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperazinecarbothioamide, 4-ethyl-N-(2-methylpropyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinecarbothioamide, 4-ethyl-N-(2-methylpropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.