9-(2-Phosphonylmethoxyethyl)-2,6-diaminopurine
TL;DR: 9-(2-Phosphonylmethoxyethyl)-2,6-diaminopurine (CAS 113852-41-8) is a chemical compound with molecular formula C8H13N6O4P and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,6-diaminopurin-9-yl)ethoxymethylphosphonic acid
Also Known As: Pmedap, 9-(2-Phosphonylmethoxyethyl)-2,6-diaminopurine, gs 0573, PME-DAP, 9-(2-phosphonomethoxyethyl)-2,6-diaminopurine
| Molecular Formula | C8H13N6O4P |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.07358 |
| Heavy Atoms | 19 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 113852-41-8 |
|---|---|
| SMILES | C1=NC2=C(N=C(N=C2N1CCOCP(=O)(O)O)N)N |
| InChIKey | XHXFQGAZAVKMFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-(2-Phosphonylmethoxyethyl)-2,6-diaminopurine (CAS 113852-41-8), with molecular formula C8H13N6O4P and molecular weight 288.07 g/mol. IUPAC: 2-(2,6-diaminopurin-9-yl)ethoxymethylphosphonic acid.
Chemical Property Profile of 9-(2-Phosphonylmethoxyethyl)-2,6-diaminopurine
Property Insights of 9-(2-Phosphonylmethoxyethyl)-2,6-diaminopurine
The XLogP value of -2.6 indicates that 9-(2-Phosphonylmethoxyethyl)-2,6-diaminopurine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 162.0 Ų indicates high polarity, suggesting 9-(2-Phosphonylmethoxyethyl)-2,6-diaminopurine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-(2-Phosphonylmethoxyethyl)-2,6-diaminopurine has 4 hydrogen bond donor(s) and 9 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 9-(2-Phosphonylmethoxyethyl)-2,6-diaminopurine?
The CAS number of 9-(2-Phosphonylmethoxyethyl)-2,6-diaminopurine is 113852-41-8.
What is the molecular formula of 9-(2-Phosphonylmethoxyethyl)-2,6-diaminopurine?
The molecular formula of 9-(2-Phosphonylmethoxyethyl)-2,6-diaminopurine is C8H13N6O4P.
What is the molecular weight of 9-(2-Phosphonylmethoxyethyl)-2,6-diaminopurine?
The molecular weight of 9-(2-Phosphonylmethoxyethyl)-2,6-diaminopurine is 288.07 g/mol.
Where can I buy 9-(2-Phosphonylmethoxyethyl)-2,6-diaminopurine?
You can request a quote for 9-(2-Phosphonylmethoxyethyl)-2,6-diaminopurine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(2-Phosphonylmethoxyethyl)-2,6-diaminopurine?
Yes, KEHONG BIO provides custom synthesis services for 9-(2-Phosphonylmethoxyethyl)-2,6-diaminopurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.