Diethyl (2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl)phosphonate
TL;DR: Diethyl (2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl)phosphonate (CAS 29135-85-1) is a chemical compound with molecular formula C9H18N5O3P and molecular weight 275.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-diethoxyphosphorylethyl)-1,3,5-triazine-2,4-diamine
Also Known As: Diethyl (2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl)phosphonate, DIETHYL [2-(4,6-DIAMINO-1,3,5-TRIAZIN-2-YL)ETHYL]PHOSPHONATE, 6-(2-diethoxyphosphorylethyl)-1,3,5-triazine-2,4-diamine, diethyl[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]phosphonate, [2-(4,6-Diamino-1,3,5-triazin-2-yl)ethyl]phosphonic acid diethyl ester
| Molecular Formula | C9H18N5O3P |
|---|---|
| Molecular Weight | 275.11 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 275.11472 |
| Heavy Atoms | 18 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 29135-85-1 |
|---|---|
| SMILES | CCOP(=O)(CCC1=NC(=NC(=N1)N)N)OCC |
| InChIKey | XNCQJPXXTGPKTK-UHFFFAOYSA-N |
Product Overview
Diethyl (2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl)phosphonate (CAS 29135-85-1), with molecular formula C9H18N5O3P and molecular weight 275.11 g/mol. IUPAC: 6-(2-diethoxyphosphorylethyl)-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of Diethyl (2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl)phosphonate
Property Insights of Diethyl (2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl)phosphonate
The XLogP value of -0.4 indicates that Diethyl (2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl)phosphonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl)phosphonate. Following Lipinski's Rule of Five, Diethyl (2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl)phosphonate has 2 hydrogen bond donor(s) and 8 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-(4,6-diamino-1,3,5-triazin-2-yl)ethyl)phosphonate?
The CAS number of Diethyl (2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl)phosphonate is 29135-85-1.
What is the molecular formula of Diethyl (2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl)phosphonate?
The molecular formula of Diethyl (2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl)phosphonate is C9H18N5O3P.
What is the molecular weight of Diethyl (2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl)phosphonate?
The molecular weight of Diethyl (2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl)phosphonate is 275.11 g/mol.
Where can I buy Diethyl (2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl)phosphonate?
You can request a quote for Diethyl (2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl)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-(4,6-diamino-1,3,5-triazin-2-yl)ethyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.