![2,2-dimethyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]propanamide structure](/static/products/839/839694-99-4.png)
2,2-dimethyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]propanamide
TL;DR: 2,2-dimethyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]propanamide (CAS 839694-99-4) is a chemical compound with molecular formula C16H22N4O3S and molecular weight 350.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]propanamide
Also Known As: 2,2-dimethyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]propanamide, 2,2-dimethyl-N-{[4-(4-nitrophenyl)piperazin-1-yl]carbonothioyl}propanamide
| Molecular Formula | C16H22N4O3S |
|---|---|
| Molecular Weight | 350.14 g/mol |
| LogP | 2.164 |
| Topological Polar Surface Area | 78.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.14127 |
| Heavy Atoms | 24 |
| Complexity | 631.7178 |
Chemical Identifiers
| CAS Number | 839694-99-4 |
|---|---|
| SMILES | CC(C)(C)C(=O)NC(=S)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
2,2-dimethyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]propanamide (CAS 839694-99-4), with molecular formula C16H22N4O3S and molecular weight 350.14 g/mol. IUPAC: 2,2-dimethyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]propanamide.
Chemical Property Profile of 2,2-dimethyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]propanamide
Property Insights of 2,2-dimethyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]propanamide
The XLogP value of 2.164 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-dimethyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]propanamide. The TPSA of 78.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-dimethyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]propanamide. Following Lipinski's Rule of Five, 2,2-dimethyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]propanamide has 1 hydrogen bond donor(s) and 5 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 2,2-dimethyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]propanamide?
The CAS number of 2,2-dimethyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]propanamide is 839694-99-4.
What is the molecular formula of 2,2-dimethyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]propanamide?
The molecular formula of 2,2-dimethyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]propanamide is C16H22N4O3S.
What is the molecular weight of 2,2-dimethyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]propanamide?
The molecular weight of 2,2-dimethyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]propanamide is 350.14 g/mol.
Where can I buy 2,2-dimethyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]propanamide?
You can request a quote for 2,2-dimethyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-dimethyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]propanamide?
Yes, KEHONG BIO provides custom synthesis services for 2,2-dimethyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.