4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carbothioamide
TL;DR: 4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carbothioamide (CAS 452958-19-9) is a chemical compound with molecular formula C13H19N3O2S and molecular weight 281.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(furan-2-carbonyl)-N-propan-2-ylpiperazine-1-carbothioamide
Also Known As: 4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carbothioamide, 2-FURYL 4-(((METHYLETHYL)AMINO)THIOXOMETHYL)PIPERAZINYL KETONE, 4-(furan-2-carbonyl)-N-propan-2-ylpiperazine-1-carbothioamide, AO-990/15068168, 4-(2-furoyl)-N-isopropyl-1-piperazinecarbothioamide
| Molecular Formula | C13H19N3O2S |
|---|---|
| Molecular Weight | 281.12 g/mol |
| LogP | 1.3203 |
| Topological Polar Surface Area | 48.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.1198 |
| Heavy Atoms | 19 |
| Complexity | 436.7506 |
Chemical Identifiers
| CAS Number | 452958-19-9 |
|---|---|
| SMILES | CC(C)NC(=S)N1CCN(CC1)C(=O)C2=CC=CO2 |
Product Overview
4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carbothioamide (CAS 452958-19-9), with molecular formula C13H19N3O2S and molecular weight 281.12 g/mol. IUPAC: 4-(furan-2-carbonyl)-N-propan-2-ylpiperazine-1-carbothioamide.
Chemical Property Profile of 4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carbothioamide
Property Insights of 4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carbothioamide
The XLogP value of 1.3203 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 48.72 Ų, 4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(furan-2-carbonyl)-N-(propan-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 4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carbothioamide?
The CAS number of 4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carbothioamide is 452958-19-9.
What is the molecular formula of 4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carbothioamide?
The molecular formula of 4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carbothioamide is C13H19N3O2S.
What is the molecular weight of 4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carbothioamide?
The molecular weight of 4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carbothioamide is 281.12 g/mol.
Where can I buy 4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carbothioamide?
You can request a quote for 4-(furan-2-carbonyl)-N-(propan-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 4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.