2-(2-(4-Amino-3-iodophenyl)ethylamino)adenosine
TL;DR: 2-(2-(4-Amino-3-iodophenyl)ethylamino)adenosine (CAS 19853-09-9) is a chemical compound with molecular formula C18H22IN7O4 and molecular weight 527.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5R)-2-[6-amino-2-[2-(4-amino-3-iodophenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: I-APE, 2-(2-(4-Amino-3-iodophenyl)ethylamino)adenosine, PDSP1_000307, PDSP2_000305, 2-[(3-Iodo-4-aminophenethyl)amino]adenosine
| Molecular Formula | C18H22IN7O4 |
|---|---|
| Molecular Weight | 527.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 527.0778 |
| Heavy Atoms | 30 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 19853-09-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1CCNC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)I)N |
| InChIKey | AFFIAFORFZHTLX-LSCFUAHRSA-N |
Product Overview
2-(2-(4-Amino-3-iodophenyl)ethylamino)adenosine (CAS 19853-09-9), with molecular formula C18H22IN7O4 and molecular weight 527.08 g/mol. IUPAC: (2R,3R,4S,5R)-2-[6-amino-2-[2-(4-amino-3-iodophenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of 2-(2-(4-Amino-3-iodophenyl)ethylamino)adenosine
Property Insights of 2-(2-(4-Amino-3-iodophenyl)ethylamino)adenosine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-(4-Amino-3-iodophenyl)ethylamino)adenosine. The TPSA of 178.0 Ų indicates high polarity, suggesting 2-(2-(4-Amino-3-iodophenyl)ethylamino)adenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(2-(4-Amino-3-iodophenyl)ethylamino)adenosine has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-(4-Amino-3-iodophenyl)ethylamino)adenosine?
The CAS number of 2-(2-(4-Amino-3-iodophenyl)ethylamino)adenosine is 19853-09-9.
What is the molecular formula of 2-(2-(4-Amino-3-iodophenyl)ethylamino)adenosine?
The molecular formula of 2-(2-(4-Amino-3-iodophenyl)ethylamino)adenosine is C18H22IN7O4.
What is the molecular weight of 2-(2-(4-Amino-3-iodophenyl)ethylamino)adenosine?
The molecular weight of 2-(2-(4-Amino-3-iodophenyl)ethylamino)adenosine is 527.08 g/mol.
Where can I buy 2-(2-(4-Amino-3-iodophenyl)ethylamino)adenosine?
You can request a quote for 2-(2-(4-Amino-3-iodophenyl)ethylamino)adenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-(4-Amino-3-iodophenyl)ethylamino)adenosine?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-(4-Amino-3-iodophenyl)ethylamino)adenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.