Lithium nickel fluoride
TL;DR: Lithium nickel fluoride (CAS 62787-55-7) is a chemical compound with molecular formula C15H20N4O6 and molecular weight 352.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-methylpropanedioate
Also Known As: Lithium nickel fluoride, diethyl 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-methylpropane, diethyl 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-methylpropanedioate, Diethyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-2-methyl-propanedioate, Diethyl (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)(methyl)propanedioate
| Molecular Formula | C15H20N4O6 |
|---|---|
| Molecular Weight | 352.14 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 352.13828 |
| Heavy Atoms | 25 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 62787-55-7 |
|---|---|
| SMILES | CCOC(=O)C(C)(C(=O)OCC)N1C=NC2=C1C(=O)N(C(=O)N2C)C |
| InChIKey | CCURPRVGQZXQRA-UHFFFAOYSA-N |
Product Overview
Lithium nickel fluoride (CAS 62787-55-7), with molecular formula C15H20N4O6 and molecular weight 352.14 g/mol. IUPAC: diethyl 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-methylpropanedioate.
Chemical Property Profile of Lithium nickel fluoride
Property Insights of Lithium nickel fluoride
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lithium nickel fluoride. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Lithium nickel fluoride. Following Lipinski's Rule of Five, Lithium nickel fluoride has 0 hydrogen bond donor(s) and 7 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 Lithium nickel fluoride?
The CAS number of Lithium nickel fluoride is 62787-55-7.
What is the molecular formula of Lithium nickel fluoride?
The molecular formula of Lithium nickel fluoride is C15H20N4O6.
What is the molecular weight of Lithium nickel fluoride?
The molecular weight of Lithium nickel fluoride is 352.14 g/mol.
Where can I buy Lithium nickel fluoride?
You can request a quote for Lithium nickel fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lithium nickel fluoride?
Yes, KEHONG BIO provides custom synthesis services for Lithium nickel fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.