9-(2-Diphosphorylphosphonylmethoxyethyl)-2-aminoadenine
TL;DR: 9-(2-Diphosphorylphosphonylmethoxyethyl)-2-aminoadenine (CAS 130029-10-6) is a chemical compound with molecular formula C8H15N6O10P3 and molecular weight 448.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,6-diaminopurin-9-yl)ethoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
Also Known As: PMEDAP-TP, 9-MeOEt-2-Amino A-TP, 9-(2-Diphosphorylphosphonylmethoxyethyl)-2-aminoadenine, 9-(2-Diphosphorylphosphonylmethoxyethyl)-2-aminoadenine 2-AminoPMEApp, Diphosphoric acid, monoanhydride with ((2-(2,6-diamino-9H-purin-9-yl)ethoxy)methyl)phosphonic acid
| Molecular Formula | C8H15N6O10P3 |
|---|---|
| Molecular Weight | 448.01 g/mol |
| LogP | -4.8 |
| Topological Polar Surface Area | 255.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 448.00626 |
| Heavy Atoms | 27 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 130029-10-6 |
|---|---|
| SMILES | C1=NC2=C(N=C(N=C2N1CCOCP(=O)(O)OP(=O)(O)OP(=O)(O)O)N)N |
| InChIKey | AQPROKLUUOKVSA-UHFFFAOYSA-N |
Product Overview
9-(2-Diphosphorylphosphonylmethoxyethyl)-2-aminoadenine (CAS 130029-10-6), with molecular formula C8H15N6O10P3 and molecular weight 448.01 g/mol. IUPAC: 2-(2,6-diaminopurin-9-yl)ethoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid.
Chemical Property Profile of 9-(2-Diphosphorylphosphonylmethoxyethyl)-2-aminoadenine
Property Insights of 9-(2-Diphosphorylphosphonylmethoxyethyl)-2-aminoadenine
The XLogP value of -4.8 indicates that 9-(2-Diphosphorylphosphonylmethoxyethyl)-2-aminoadenine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 255.0 Ų indicates high polarity, suggesting 9-(2-Diphosphorylphosphonylmethoxyethyl)-2-aminoadenine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-(2-Diphosphorylphosphonylmethoxyethyl)-2-aminoadenine has 6 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-(2-Diphosphorylphosphonylmethoxyethyl)-2-aminoadenine?
The CAS number of 9-(2-Diphosphorylphosphonylmethoxyethyl)-2-aminoadenine is 130029-10-6.
What is the molecular formula of 9-(2-Diphosphorylphosphonylmethoxyethyl)-2-aminoadenine?
The molecular formula of 9-(2-Diphosphorylphosphonylmethoxyethyl)-2-aminoadenine is C8H15N6O10P3.
What is the molecular weight of 9-(2-Diphosphorylphosphonylmethoxyethyl)-2-aminoadenine?
The molecular weight of 9-(2-Diphosphorylphosphonylmethoxyethyl)-2-aminoadenine is 448.01 g/mol.
Where can I buy 9-(2-Diphosphorylphosphonylmethoxyethyl)-2-aminoadenine?
You can request a quote for 9-(2-Diphosphorylphosphonylmethoxyethyl)-2-aminoadenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(2-Diphosphorylphosphonylmethoxyethyl)-2-aminoadenine?
Yes, KEHONG BIO provides custom synthesis services for 9-(2-Diphosphorylphosphonylmethoxyethyl)-2-aminoadenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.