5-Nitro-4,6-bis(2,4,6-trinitrophenyl)pyrimidine
TL;DR: 5-Nitro-4,6-bis(2,4,6-trinitrophenyl)pyrimidine (CAS 59543-70-3) is a chemical compound with molecular formula C16H5N9O14 and molecular weight 547.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-4,6-bis(2,4,6-trinitrophenyl)pyrimidine
Also Known As: 5-nitro-4,6-bis(2,4,6-trinitrophenyl)pyrimidine
| Molecular Formula | C16H5N9O14 |
|---|---|
| Molecular Weight | 547.00 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 347.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 2 |
| Exact Mass | 546.9956 |
| Heavy Atoms | 39 |
| Complexity | 914.0 |
Chemical Identifiers
| CAS Number | 59543-70-3 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])C2=C(C(=NC=N2)C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | VZEGKMANYZQNIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Nitro-4,6-bis(2,4,6-trinitrophenyl)pyrimidine (CAS 59543-70-3), with molecular formula C16H5N9O14 and molecular weight 547.00 g/mol. IUPAC: 5-nitro-4,6-bis(2,4,6-trinitrophenyl)pyrimidine.
Chemical Property Profile of 5-Nitro-4,6-bis(2,4,6-trinitrophenyl)pyrimidine
Property Insights of 5-Nitro-4,6-bis(2,4,6-trinitrophenyl)pyrimidine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-4,6-bis(2,4,6-trinitrophenyl)pyrimidine. The TPSA of 347.0 Ų indicates high polarity, suggesting 5-Nitro-4,6-bis(2,4,6-trinitrophenyl)pyrimidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Nitro-4,6-bis(2,4,6-trinitrophenyl)pyrimidine has 0 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Nitro-4,6-bis(2,4,6-trinitrophenyl)pyrimidine?
The CAS number of 5-Nitro-4,6-bis(2,4,6-trinitrophenyl)pyrimidine is 59543-70-3.
What is the molecular formula of 5-Nitro-4,6-bis(2,4,6-trinitrophenyl)pyrimidine?
The molecular formula of 5-Nitro-4,6-bis(2,4,6-trinitrophenyl)pyrimidine is C16H5N9O14.
What is the molecular weight of 5-Nitro-4,6-bis(2,4,6-trinitrophenyl)pyrimidine?
The molecular weight of 5-Nitro-4,6-bis(2,4,6-trinitrophenyl)pyrimidine is 547.00 g/mol.
Where can I buy 5-Nitro-4,6-bis(2,4,6-trinitrophenyl)pyrimidine?
You can request a quote for 5-Nitro-4,6-bis(2,4,6-trinitrophenyl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-4,6-bis(2,4,6-trinitrophenyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-4,6-bis(2,4,6-trinitrophenyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.