Pentanamide, 4,4-dimethyl-3-oxo-N-(phenylthioxomethyl)-
TL;DR: Pentanamide, 4,4-dimethyl-3-oxo-N-(phenylthioxomethyl)- (CAS 178408-10-1) is a chemical compound with molecular formula C14H17NO2S and molecular weight 263.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(benzenecarbonothioyl)-4,4-dimethyl-3-oxopentanamide
Also Known As: 4,4-Dimethyl-3-oxo-N-(phenylthioxomethyl)pentanamide, Pentanamide, 4,4-dimethyl-3-oxo-N-(phenylthioxomethyl)-, N-(benzenecarbonothioyl)-4,4-dimethyl-3-oxopentanamide, N-(benzenecarbonothioyl)-4,4-dimethyl-3-oxo-pentanamide, N-(Benzenecarbothioyl)-4,4-dimethyl-3-oxopentanamide
| Molecular Formula | C14H17NO2S |
|---|---|
| Molecular Weight | 263.10 g/mol |
| LogP | 2.4836 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.098 |
| Heavy Atoms | 18 |
| Complexity | 460.43237 |
Chemical Identifiers
| CAS Number | 178408-10-1 |
|---|---|
| SMILES | CC(C)(C)C(=O)CC(=O)NC(=S)C1=CC=CC=C1 |
Product Overview
Pentanamide, 4,4-dimethyl-3-oxo-N-(phenylthioxomethyl)- (CAS 178408-10-1), with molecular formula C14H17NO2S and molecular weight 263.10 g/mol. IUPAC: N-(benzenecarbonothioyl)-4,4-dimethyl-3-oxopentanamide.
Chemical Property Profile of Pentanamide, 4,4-dimethyl-3-oxo-N-(phenylthioxomethyl)-
Property Insights of Pentanamide, 4,4-dimethyl-3-oxo-N-(phenylthioxomethyl)-
The XLogP value of 2.4836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanamide, 4,4-dimethyl-3-oxo-N-(phenylthioxomethyl)-. With a topological polar surface area (TPSA) of 46.17 Ų, Pentanamide, 4,4-dimethyl-3-oxo-N-(phenylthioxomethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanamide, 4,4-dimethyl-3-oxo-N-(phenylthioxomethyl)- 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 Pentanamide, 4,4-dimethyl-3-oxo-N-(phenylthioxomethyl)-?
The CAS number of Pentanamide, 4,4-dimethyl-3-oxo-N-(phenylthioxomethyl)- is 178408-10-1.
What is the molecular formula of Pentanamide, 4,4-dimethyl-3-oxo-N-(phenylthioxomethyl)-?
The molecular formula of Pentanamide, 4,4-dimethyl-3-oxo-N-(phenylthioxomethyl)- is C14H17NO2S.
What is the molecular weight of Pentanamide, 4,4-dimethyl-3-oxo-N-(phenylthioxomethyl)-?
The molecular weight of Pentanamide, 4,4-dimethyl-3-oxo-N-(phenylthioxomethyl)- is 263.10 g/mol.
Where can I buy Pentanamide, 4,4-dimethyl-3-oxo-N-(phenylthioxomethyl)-?
You can request a quote for Pentanamide, 4,4-dimethyl-3-oxo-N-(phenylthioxomethyl)- 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-3-oxo-N-(phenylthioxomethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pentanamide, 4,4-dimethyl-3-oxo-N-(phenylthioxomethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.