Tetramethyl (5-nitropyrimidine-2,4-diyl)bis(phosphonate)
TL;DR: Tetramethyl (5-nitropyrimidine-2,4-diyl)bis(phosphonate) (CAS 81216-16-2) is a chemical compound with molecular formula C8H13N3O8P2 and molecular weight 341.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-bis(dimethoxyphosphoryl)-5-nitropyrimidine
Also Known As: 2,4-bis(dimethoxyphosphoryl)-5-nitropyrimidine, (5-Nitro-2,4-pyrimidinediyl)bisphosphonic acid tetramethyl ester, Phosphonic acid, (5-nitro-2,4-pyrimidinediyl)bis-, tetramethyl ester, Tetramethyl (5-nitropyrimidine-2,4-diyl)bis(phosphonate), RefChem:1099713
| Molecular Formula | C8H13N3O8P2 |
|---|---|
| Molecular Weight | 341.02 g/mol |
| LogP | 0.6072 |
| Topological Polar Surface Area | 139.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 341.0178 |
| Heavy Atoms | 21 |
| Complexity | 619.9481 |
Chemical Identifiers
| CAS Number | 81216-16-2 |
|---|---|
| SMILES | COP(=O)(C1=NC(=NC=C1[N+](=O)[O-])P(=O)(OC)OC)OC |
Product Overview
Tetramethyl (5-nitropyrimidine-2,4-diyl)bis(phosphonate) (CAS 81216-16-2), with molecular formula C8H13N3O8P2 and molecular weight 341.02 g/mol. IUPAC: 2,4-bis(dimethoxyphosphoryl)-5-nitropyrimidine.
Chemical Property Profile of Tetramethyl (5-nitropyrimidine-2,4-diyl)bis(phosphonate)
Property Insights of Tetramethyl (5-nitropyrimidine-2,4-diyl)bis(phosphonate)
The XLogP value of 0.6072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetramethyl (5-nitropyrimidine-2,4-diyl)bis(phosphonate). The TPSA of 139.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetramethyl (5-nitropyrimidine-2,4-diyl)bis(phosphonate). Following Lipinski's Rule of Five, Tetramethyl (5-nitropyrimidine-2,4-diyl)bis(phosphonate) 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 Tetramethyl (5-nitropyrimidine-2,4-diyl)bis(phosphonate)?
The CAS number of Tetramethyl (5-nitropyrimidine-2,4-diyl)bis(phosphonate) is 81216-16-2.
What is the molecular formula of Tetramethyl (5-nitropyrimidine-2,4-diyl)bis(phosphonate)?
The molecular formula of Tetramethyl (5-nitropyrimidine-2,4-diyl)bis(phosphonate) is C8H13N3O8P2.
What is the molecular weight of Tetramethyl (5-nitropyrimidine-2,4-diyl)bis(phosphonate)?
The molecular weight of Tetramethyl (5-nitropyrimidine-2,4-diyl)bis(phosphonate) is 341.02 g/mol.
Where can I buy Tetramethyl (5-nitropyrimidine-2,4-diyl)bis(phosphonate)?
You can request a quote for Tetramethyl (5-nitropyrimidine-2,4-diyl)bis(phosphonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetramethyl (5-nitropyrimidine-2,4-diyl)bis(phosphonate)?
Yes, KEHONG BIO provides custom synthesis services for Tetramethyl (5-nitropyrimidine-2,4-diyl)bis(phosphonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.