N-ethyl-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbothioamide
TL;DR: N-ethyl-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbothioamide (CAS 604741-65-3) is a chemical compound with molecular formula C16H23N5S and molecular weight 317.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbothioamide
Also Known As: ASN 06354437, N-ethyl-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbothioamide, 4-(1-Ethyl-1H-benzoimidazol-2-yl)-piperazine-1-carbothioic acid ethylamide, 1-Piperazinecarbothioamide, N-ethyl-4-(1-ethyl-1H-benzimidazol-2-yl)- (9CI)
| Molecular Formula | C16H23N5S |
|---|---|
| Molecular Weight | 317.17 g/mol |
| LogP | 2.0726 |
| Topological Polar Surface Area | 36.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.16742 |
| Heavy Atoms | 22 |
| Complexity | 657.6 |
Chemical Identifiers
| CAS Number | 604741-65-3 |
|---|---|
| SMILES | CCNC(=S)N1CCN(CC1)C2=NC3=CC=CC=C3N2CC |
Product Overview
N-ethyl-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbothioamide (CAS 604741-65-3), with molecular formula C16H23N5S and molecular weight 317.17 g/mol. IUPAC: N-ethyl-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbothioamide.
Chemical Property Profile of N-ethyl-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbothioamide
Property Insights of N-ethyl-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbothioamide
The XLogP value of 2.0726 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-ethyl-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 36.33 Ų, N-ethyl-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-ethyl-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbothioamide 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 N-ethyl-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbothioamide?
The CAS number of N-ethyl-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbothioamide is 604741-65-3.
What is the molecular formula of N-ethyl-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbothioamide?
The molecular formula of N-ethyl-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbothioamide is C16H23N5S.
What is the molecular weight of N-ethyl-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbothioamide?
The molecular weight of N-ethyl-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbothioamide is 317.17 g/mol.
Where can I buy N-ethyl-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbothioamide?
You can request a quote for N-ethyl-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-ethyl-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-ethyl-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.