Pentanamide, 4,4-dimethyl-N-((4-nitrophenyl)thioxomethyl)-3-oxo-
TL;DR: Pentanamide, 4,4-dimethyl-N-((4-nitrophenyl)thioxomethyl)-3-oxo- (CAS 178408-11-2) is a chemical compound with molecular formula C14H16N2O4S and molecular weight 308.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-N-(4-nitrobenzenecarbothioyl)-3-oxopentanamide
Also Known As: Pentanamide, 4,4-dimethyl-N-((4-nitrophenyl)thioxomethyl)-3-oxo-, 4,4-Dimethyl-N-((4-nitrophenyl)thioxomethyl)-3-oxopentanamide, 4,4-dimethyl-N-(4-nitrobenzenecarbothioyl)-3-oxopentanamide, 4,4-Dimethyl-N-(4-nitrobenzene-1-carbothioyl)-3-oxopentanamide, Pentanamide,4,4-dimethyl-N-[(4-nitrophenyl)thioxomethyl]-3-oxo-
| Molecular Formula | C14H16N2O4S |
|---|---|
| Molecular Weight | 308.08 g/mol |
| LogP | 2.3918 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.08307 |
| Heavy Atoms | 21 |
| Complexity | 587.98676 |
Chemical Identifiers
| CAS Number | 178408-11-2 |
|---|---|
| SMILES | CC(C)(C)C(=O)CC(=O)NC(=S)C1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
Pentanamide, 4,4-dimethyl-N-((4-nitrophenyl)thioxomethyl)-3-oxo- (CAS 178408-11-2), with molecular formula C14H16N2O4S and molecular weight 308.08 g/mol. IUPAC: 4,4-dimethyl-N-(4-nitrobenzenecarbothioyl)-3-oxopentanamide.
Chemical Property Profile of Pentanamide, 4,4-dimethyl-N-((4-nitrophenyl)thioxomethyl)-3-oxo-
Property Insights of Pentanamide, 4,4-dimethyl-N-((4-nitrophenyl)thioxomethyl)-3-oxo-
The XLogP value of 2.3918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanamide, 4,4-dimethyl-N-((4-nitrophenyl)thioxomethyl)-3-oxo-. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentanamide, 4,4-dimethyl-N-((4-nitrophenyl)thioxomethyl)-3-oxo-. Following Lipinski's Rule of Five, Pentanamide, 4,4-dimethyl-N-((4-nitrophenyl)thioxomethyl)-3-oxo- 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 Pentanamide, 4,4-dimethyl-N-((4-nitrophenyl)thioxomethyl)-3-oxo-?
The CAS number of Pentanamide, 4,4-dimethyl-N-((4-nitrophenyl)thioxomethyl)-3-oxo- is 178408-11-2.
What is the molecular formula of Pentanamide, 4,4-dimethyl-N-((4-nitrophenyl)thioxomethyl)-3-oxo-?
The molecular formula of Pentanamide, 4,4-dimethyl-N-((4-nitrophenyl)thioxomethyl)-3-oxo- is C14H16N2O4S.
What is the molecular weight of Pentanamide, 4,4-dimethyl-N-((4-nitrophenyl)thioxomethyl)-3-oxo-?
The molecular weight of Pentanamide, 4,4-dimethyl-N-((4-nitrophenyl)thioxomethyl)-3-oxo- is 308.08 g/mol.
Where can I buy Pentanamide, 4,4-dimethyl-N-((4-nitrophenyl)thioxomethyl)-3-oxo-?
You can request a quote for Pentanamide, 4,4-dimethyl-N-((4-nitrophenyl)thioxomethyl)-3-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanamide, 4,4-dimethyl-N-((4-nitrophenyl)thioxomethyl)-3-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Pentanamide, 4,4-dimethyl-N-((4-nitrophenyl)thioxomethyl)-3-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.