3-(1H-benzimidazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carbothioamide
TL;DR: 3-(1H-benzimidazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carbothioamide (CAS 606089-80-9) is a chemical compound with molecular formula C21H24N4S and molecular weight 364.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-benzimidazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carbothioamide
Also Known As: ASN 06593902, 1-Piperidinecarbothioamide,3-(1H-benzimidazol-2-yl)-N-(2-ethylphenyl)-(9CI), 3-(1H-benzimidazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carbothioamide, 1-PIPERIDINECARBOTHIOAMIDE, 3-(1H-BENZIMIDAZOL-2-YL)-N-(2-ETHYLPHENYL)-, 1-Piperidinecarbothioamide, 3-(1H-benzimidazol-2-yl)-N-(2-ethylphenyl)- (9CI)
| Molecular Formula | C21H24N4S |
|---|---|
| Molecular Weight | 364.17 g/mol |
| LogP | 4.7017 |
| Topological Polar Surface Area | 43.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.17218 |
| Heavy Atoms | 26 |
| Complexity | 884.0249 |
Chemical Identifiers
| CAS Number | 606089-80-9 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC(=S)N2CCCC(C2)C3=NC4=CC=CC=C4N3 |
Product Overview
3-(1H-benzimidazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carbothioamide (CAS 606089-80-9), with molecular formula C21H24N4S and molecular weight 364.17 g/mol. IUPAC: 3-(1H-benzimidazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carbothioamide.
Chemical Property Profile of 3-(1H-benzimidazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carbothioamide
Property Insights of 3-(1H-benzimidazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carbothioamide
The XLogP value of 4.7017 indicates that 3-(1H-benzimidazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.95 Ų, 3-(1H-benzimidazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1H-benzimidazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carbothioamide has 2 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 3-(1H-benzimidazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carbothioamide?
The CAS number of 3-(1H-benzimidazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carbothioamide is 606089-80-9.
What is the molecular formula of 3-(1H-benzimidazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carbothioamide?
The molecular formula of 3-(1H-benzimidazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carbothioamide is C21H24N4S.
What is the molecular weight of 3-(1H-benzimidazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carbothioamide?
The molecular weight of 3-(1H-benzimidazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carbothioamide is 364.17 g/mol.
Where can I buy 3-(1H-benzimidazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carbothioamide?
You can request a quote for 3-(1H-benzimidazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1H-benzimidazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-benzimidazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.