Adeturon
TL;DR: Adeturon (CAS 63346-83-8) is a chemical compound with molecular formula C13H25N8O13P3S and molecular weight 626.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoethyl carbamimidothioate;[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: Adeturon, S-2-Aminoethyl-isothiuronium adenosine triphosphate, 2-aminoethyl carbamimidothioate;[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate, 2-aminoethyl carbamimidothioate- adenosine 5'-(tetrahydrogen triphosphate)(1:1), 2-Aminoethyl carbamimidothioate--9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribofuranosyl]-9H-purin-6-amine (1/1)
| Molecular Formula | C13H25N8O13P3S |
|---|---|
| Molecular Weight | 626.05 g/mol |
| LogP | -2.06 |
| Topological Polar Surface Area | 380.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 11 |
| Exact Mass | 626.0475 |
| Heavy Atoms | 38 |
| Complexity | 863.0 |
Chemical Identifiers
| CAS Number | 63346-83-8 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)C3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N.C(CSC(=N)N)N |
| InChIKey | AZFYOKHCKZPHNU-JJJJRQIZSA-N |
Product Overview
Adeturon (CAS 63346-83-8), with molecular formula C13H25N8O13P3S and molecular weight 626.05 g/mol. IUPAC: 2-aminoethyl carbamimidothioate;[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of Adeturon
Property Insights of Adeturon
The XLogP value of -2.06 indicates that Adeturon is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 380.0 Ų indicates high polarity, suggesting Adeturon may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adeturon has 10 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Adeturon?
The CAS number of Adeturon is 63346-83-8.
What is the molecular formula of Adeturon?
The molecular formula of Adeturon is C13H25N8O13P3S.
What is the molecular weight of Adeturon?
The molecular weight of Adeturon is 626.05 g/mol.
Where can I buy Adeturon?
You can request a quote for Adeturon directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adeturon?
Yes, KEHONG BIO provides custom synthesis services for Adeturon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.