4,6-Bis(4-methyl-3-nitrophenoxy)-5-nitropyrimidine
TL;DR: 4,6-Bis(4-methyl-3-nitrophenoxy)-5-nitropyrimidine (CAS 294848-90-1) is a chemical compound with molecular formula C18H13N5O8 and molecular weight 427.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-bis(4-methyl-3-nitrophenoxy)-5-nitropyrimidine
Also Known As: 4,6-bis(4-methyl-3-nitrophenoxy)-5-nitropyrimidine, 4,6-bis(4-methyl-3-nitro-phenoxy)-5-nitro-pyrimidine
| Molecular Formula | C18H13N5O8 |
|---|---|
| Molecular Weight | 427.08 g/mol |
| LogP | 4.40264 |
| Topological Polar Surface Area | 173.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.07642 |
| Heavy Atoms | 31 |
| Complexity | 1129.7997 |
Chemical Identifiers
| CAS Number | 294848-90-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OC2=C(C(=NC=N2)OC3=CC(=C(C=C3)C)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
4,6-Bis(4-methyl-3-nitrophenoxy)-5-nitropyrimidine (CAS 294848-90-1), with molecular formula C18H13N5O8 and molecular weight 427.08 g/mol. IUPAC: 4,6-bis(4-methyl-3-nitrophenoxy)-5-nitropyrimidine.
Chemical Property Profile of 4,6-Bis(4-methyl-3-nitrophenoxy)-5-nitropyrimidine
Property Insights of 4,6-Bis(4-methyl-3-nitrophenoxy)-5-nitropyrimidine
The XLogP value of 4.40264 indicates that 4,6-Bis(4-methyl-3-nitrophenoxy)-5-nitropyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 173.66 Ų indicates high polarity, suggesting 4,6-Bis(4-methyl-3-nitrophenoxy)-5-nitropyrimidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,6-Bis(4-methyl-3-nitrophenoxy)-5-nitropyrimidine has 0 hydrogen bond donor(s) and 10 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 4,6-Bis(4-methyl-3-nitrophenoxy)-5-nitropyrimidine?
The CAS number of 4,6-Bis(4-methyl-3-nitrophenoxy)-5-nitropyrimidine is 294848-90-1.
What is the molecular formula of 4,6-Bis(4-methyl-3-nitrophenoxy)-5-nitropyrimidine?
The molecular formula of 4,6-Bis(4-methyl-3-nitrophenoxy)-5-nitropyrimidine is C18H13N5O8.
What is the molecular weight of 4,6-Bis(4-methyl-3-nitrophenoxy)-5-nitropyrimidine?
The molecular weight of 4,6-Bis(4-methyl-3-nitrophenoxy)-5-nitropyrimidine is 427.08 g/mol.
Where can I buy 4,6-Bis(4-methyl-3-nitrophenoxy)-5-nitropyrimidine?
You can request a quote for 4,6-Bis(4-methyl-3-nitrophenoxy)-5-nitropyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Bis(4-methyl-3-nitrophenoxy)-5-nitropyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Bis(4-methyl-3-nitrophenoxy)-5-nitropyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.