N-ethyl-4-(2-furoyl)-1-piperazinecarbothioamide
TL;DR: N-ethyl-4-(2-furoyl)-1-piperazinecarbothioamide (CAS 333758-58-0) is a chemical compound with molecular formula C12H17N3O2S and molecular weight 267.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-4-(furan-2-carbonyl)piperazine-1-carbothioamide
Also Known As: BAS 03058309, N-ethyl-4-(2-furoyl)-1-piperazinecarbothioamide, AJ-292/40706438, N-ethyl-4-(furan-2-carbonyl)piperazine-1-carbothioamide, N-ethyl-4-(furan-2-ylcarbonyl)piperazine-1-carbothioamide
| Molecular Formula | C12H17N3O2S |
|---|---|
| Molecular Weight | 267.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 80.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.10416 |
| Heavy Atoms | 18 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 333758-58-0 |
|---|---|
| SMILES | CCNC(=S)N1CCN(CC1)C(=O)C2=CC=CO2 |
| InChIKey | WTHJFZZYJCGDDV-UHFFFAOYSA-N |
Product Overview
N-ethyl-4-(2-furoyl)-1-piperazinecarbothioamide (CAS 333758-58-0), with molecular formula C12H17N3O2S and molecular weight 267.10 g/mol. IUPAC: N-ethyl-4-(furan-2-carbonyl)piperazine-1-carbothioamide.
Chemical Property Profile of N-ethyl-4-(2-furoyl)-1-piperazinecarbothioamide
Property Insights of N-ethyl-4-(2-furoyl)-1-piperazinecarbothioamide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-ethyl-4-(2-furoyl)-1-piperazinecarbothioamide. The TPSA of 80.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-ethyl-4-(2-furoyl)-1-piperazinecarbothioamide. Following Lipinski's Rule of Five, N-ethyl-4-(2-furoyl)-1-piperazinecarbothioamide 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-(2-furoyl)-1-piperazinecarbothioamide?
The CAS number of N-ethyl-4-(2-furoyl)-1-piperazinecarbothioamide is 333758-58-0.
What is the molecular formula of N-ethyl-4-(2-furoyl)-1-piperazinecarbothioamide?
The molecular formula of N-ethyl-4-(2-furoyl)-1-piperazinecarbothioamide is C12H17N3O2S.
What is the molecular weight of N-ethyl-4-(2-furoyl)-1-piperazinecarbothioamide?
The molecular weight of N-ethyl-4-(2-furoyl)-1-piperazinecarbothioamide is 267.10 g/mol.
Where can I buy N-ethyl-4-(2-furoyl)-1-piperazinecarbothioamide?
You can request a quote for N-ethyl-4-(2-furoyl)-1-piperazinecarbothioamide 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-(2-furoyl)-1-piperazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-ethyl-4-(2-furoyl)-1-piperazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.