2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)butanamide
TL;DR: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)butanamide (CAS 337489-70-0) is a chemical compound with molecular formula C16H18N4O3S and molecular weight 346.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)butanamide
Also Known As: BIM-0037236.P001, 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)butanamide, 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(4-nitrophenyl)butanamide, 2-[(4,6-DIMETHYL-2-PYRIMIDINYL)SULFANYL]-N~1~-(4-NITROPHENYL)BUTANAMIDE
| Molecular Formula | C16H18N4O3S |
|---|---|
| Molecular Weight | 346.11 g/mol |
| LogP | 3.51104 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.10995 |
| Heavy Atoms | 24 |
| Complexity | 729.2378 |
Chemical Identifiers
| CAS Number | 337489-70-0 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NC(=CC(=N2)C)C |
Product Overview
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)butanamide (CAS 337489-70-0), with molecular formula C16H18N4O3S and molecular weight 346.11 g/mol. IUPAC: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)butanamide.
Chemical Property Profile of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)butanamide
Property Insights of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)butanamide
The XLogP value of 3.51104 indicates that 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)butanamide. Following Lipinski's Rule of Five, 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)butanamide has 1 hydrogen bond donor(s) and 6 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-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)butanamide?
The CAS number of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)butanamide is 337489-70-0.
What is the molecular formula of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)butanamide?
The molecular formula of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)butanamide is C16H18N4O3S.
What is the molecular weight of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)butanamide?
The molecular weight of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)butanamide is 346.11 g/mol.
Where can I buy 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)butanamide?
You can request a quote for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.