2-(4-Ethyl-2-methylpyrimidin-5-yl)-5-nitrophenol
TL;DR: 2-(4-Ethyl-2-methylpyrimidin-5-yl)-5-nitrophenol (CAS 42901-99-5) is a chemical compound with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-ethyl-2-methylpyrimidin-5-yl)-5-nitrophenol
Also Known As: 2-(4-ethyl-2-methylpyrimidin-5-yl)-5-nitrophenol
| Molecular Formula | C13H13N3O3 |
|---|---|
| Molecular Weight | 259.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 91.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.0957 |
| Heavy Atoms | 19 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 42901-99-5 |
|---|---|
| SMILES | CCC1=NC(=NC=C1C2=C(C=C(C=C2)[N+](=O)[O-])O)C |
| InChIKey | LRMVHGWSZVKZGN-UHFFFAOYSA-N |
Product Overview
2-(4-Ethyl-2-methylpyrimidin-5-yl)-5-nitrophenol (CAS 42901-99-5), with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol. IUPAC: 2-(4-ethyl-2-methylpyrimidin-5-yl)-5-nitrophenol.
Chemical Property Profile of 2-(4-Ethyl-2-methylpyrimidin-5-yl)-5-nitrophenol
Property Insights of 2-(4-Ethyl-2-methylpyrimidin-5-yl)-5-nitrophenol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Ethyl-2-methylpyrimidin-5-yl)-5-nitrophenol. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Ethyl-2-methylpyrimidin-5-yl)-5-nitrophenol. Following Lipinski's Rule of Five, 2-(4-Ethyl-2-methylpyrimidin-5-yl)-5-nitrophenol 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-(4-Ethyl-2-methylpyrimidin-5-yl)-5-nitrophenol?
The CAS number of 2-(4-Ethyl-2-methylpyrimidin-5-yl)-5-nitrophenol is 42901-99-5.
What is the molecular formula of 2-(4-Ethyl-2-methylpyrimidin-5-yl)-5-nitrophenol?
The molecular formula of 2-(4-Ethyl-2-methylpyrimidin-5-yl)-5-nitrophenol is C13H13N3O3.
What is the molecular weight of 2-(4-Ethyl-2-methylpyrimidin-5-yl)-5-nitrophenol?
The molecular weight of 2-(4-Ethyl-2-methylpyrimidin-5-yl)-5-nitrophenol is 259.10 g/mol.
Where can I buy 2-(4-Ethyl-2-methylpyrimidin-5-yl)-5-nitrophenol?
You can request a quote for 2-(4-Ethyl-2-methylpyrimidin-5-yl)-5-nitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Ethyl-2-methylpyrimidin-5-yl)-5-nitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Ethyl-2-methylpyrimidin-5-yl)-5-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.