4-(1-Ethyl-1H-benzoimidazol-2-yl)-piperazine-1-carbothioic acid isobutyl-amide
TL;DR: 4-(1-Ethyl-1H-benzoimidazol-2-yl)-piperazine-1-carbothioic acid isobutyl-amide (CAS 604741-66-4) is a chemical compound with molecular formula C18H27N5S and molecular weight 345.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-ethylbenzimidazol-2-yl)-N-(2-methylpropyl)piperazine-1-carbothioamide
Also Known As: ASN 06354438, 1-Piperazinecarbothioamide,4-(1-ethyl-1H-benzimidazol-2-yl)-N-(2-methylpropyl)-(9CI), 4-(1-Ethyl-1H-benzoimidazol-2-yl)-piperazine-1-carbothioic acid isobutyl-amide, 4-(1-ethylbenzimidazol-2-yl)-N-(2-methylpropyl)piperazine-1-carbothioamide, 1-PIPERAZINECARBOTHIOAMIDE, 4-(1-ETHYL-1H-BENZIMIDAZOL-2-YL)-N-(2-METHYLPROPYL)-
| Molecular Formula | C18H27N5S |
|---|---|
| Molecular Weight | 345.20 g/mol |
| LogP | 2.7087 |
| Topological Polar Surface Area | 36.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.19873 |
| Heavy Atoms | 24 |
| Complexity | 700.4971 |
Chemical Identifiers
| CAS Number | 604741-66-4 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2N=C1N3CCN(CC3)C(=S)NCC(C)C |
Product Overview
4-(1-Ethyl-1H-benzoimidazol-2-yl)-piperazine-1-carbothioic acid isobutyl-amide (CAS 604741-66-4), with molecular formula C18H27N5S and molecular weight 345.20 g/mol. IUPAC: 4-(1-ethylbenzimidazol-2-yl)-N-(2-methylpropyl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-(1-Ethyl-1H-benzoimidazol-2-yl)-piperazine-1-carbothioic acid isobutyl-amide
Property Insights of 4-(1-Ethyl-1H-benzoimidazol-2-yl)-piperazine-1-carbothioic acid isobutyl-amide
The XLogP value of 2.7087 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1-Ethyl-1H-benzoimidazol-2-yl)-piperazine-1-carbothioic acid isobutyl-amide. With a topological polar surface area (TPSA) of 36.33 Ų, 4-(1-Ethyl-1H-benzoimidazol-2-yl)-piperazine-1-carbothioic acid isobutyl-amide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-Ethyl-1H-benzoimidazol-2-yl)-piperazine-1-carbothioic acid isobutyl-amide 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 4-(1-Ethyl-1H-benzoimidazol-2-yl)-piperazine-1-carbothioic acid isobutyl-amide?
The CAS number of 4-(1-Ethyl-1H-benzoimidazol-2-yl)-piperazine-1-carbothioic acid isobutyl-amide is 604741-66-4.
What is the molecular formula of 4-(1-Ethyl-1H-benzoimidazol-2-yl)-piperazine-1-carbothioic acid isobutyl-amide?
The molecular formula of 4-(1-Ethyl-1H-benzoimidazol-2-yl)-piperazine-1-carbothioic acid isobutyl-amide is C18H27N5S.
What is the molecular weight of 4-(1-Ethyl-1H-benzoimidazol-2-yl)-piperazine-1-carbothioic acid isobutyl-amide?
The molecular weight of 4-(1-Ethyl-1H-benzoimidazol-2-yl)-piperazine-1-carbothioic acid isobutyl-amide is 345.20 g/mol.
Where can I buy 4-(1-Ethyl-1H-benzoimidazol-2-yl)-piperazine-1-carbothioic acid isobutyl-amide?
You can request a quote for 4-(1-Ethyl-1H-benzoimidazol-2-yl)-piperazine-1-carbothioic acid isobutyl-amide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Ethyl-1H-benzoimidazol-2-yl)-piperazine-1-carbothioic acid isobutyl-amide?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Ethyl-1H-benzoimidazol-2-yl)-piperazine-1-carbothioic acid isobutyl-amide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.