![Diethyl [(2-amino-6-fluoropyrimidin-4-yl)methyl]phosphonate structure](/static/products/438/438539-23-2.png)
Diethyl [(2-amino-6-fluoropyrimidin-4-yl)methyl]phosphonate
TL;DR: Diethyl [(2-amino-6-fluoropyrimidin-4-yl)methyl]phosphonate (CAS 438539-23-2) is a chemical compound with molecular formula C9H15FN3O3P and molecular weight 263.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(diethoxyphosphorylmethyl)-6-fluoropyrimidin-2-amine
Also Known As: 4-(diethoxyphosphorylmethyl)-6-fluoropyrimidin-2-amine, diethyl [(2-amino-6-fluoropyrimidin-4-yl)methyl]phosphonate, [(2-amino-6-fluoropyrimidin-4-yl)methyl]diethoxyphosphino-1-one
| Molecular Formula | C9H15FN3O3P |
|---|---|
| Molecular Weight | 263.08 g/mol |
| LogP | 1.964 |
| Topological Polar Surface Area | 87.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 263.0835 |
| Heavy Atoms | 17 |
| Complexity | 399.69714 |
Chemical Identifiers
| CAS Number | 438539-23-2 |
|---|---|
| SMILES | CCOP(=O)(CC1=CC(=NC(=N1)N)F)OCC |
Product Overview
Diethyl [(2-amino-6-fluoropyrimidin-4-yl)methyl]phosphonate (CAS 438539-23-2), with molecular formula C9H15FN3O3P and molecular weight 263.08 g/mol. IUPAC: 4-(diethoxyphosphorylmethyl)-6-fluoropyrimidin-2-amine.
Chemical Property Profile of Diethyl [(2-amino-6-fluoropyrimidin-4-yl)methyl]phosphonate
Property Insights of Diethyl [(2-amino-6-fluoropyrimidin-4-yl)methyl]phosphonate
The XLogP value of 1.964 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl [(2-amino-6-fluoropyrimidin-4-yl)methyl]phosphonate. The TPSA of 87.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl [(2-amino-6-fluoropyrimidin-4-yl)methyl]phosphonate. Following Lipinski's Rule of Five, Diethyl [(2-amino-6-fluoropyrimidin-4-yl)methyl]phosphonate has 1 hydrogen bond donor(s) and 6 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 Diethyl [(2-amino-6-fluoropyrimidin-4-yl)methyl]phosphonate?
The CAS number of Diethyl [(2-amino-6-fluoropyrimidin-4-yl)methyl]phosphonate is 438539-23-2.
What is the molecular formula of Diethyl [(2-amino-6-fluoropyrimidin-4-yl)methyl]phosphonate?
The molecular formula of Diethyl [(2-amino-6-fluoropyrimidin-4-yl)methyl]phosphonate is C9H15FN3O3P.
What is the molecular weight of Diethyl [(2-amino-6-fluoropyrimidin-4-yl)methyl]phosphonate?
The molecular weight of Diethyl [(2-amino-6-fluoropyrimidin-4-yl)methyl]phosphonate is 263.08 g/mol.
Where can I buy Diethyl [(2-amino-6-fluoropyrimidin-4-yl)methyl]phosphonate?
You can request a quote for Diethyl [(2-amino-6-fluoropyrimidin-4-yl)methyl]phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl [(2-amino-6-fluoropyrimidin-4-yl)methyl]phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl [(2-amino-6-fluoropyrimidin-4-yl)methyl]phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.