N(6)-(3-iodo-4-azidobenzyl)adenosine
TL;DR: N(6)-(3-iodo-4-azidobenzyl)adenosine (CAS 6291-02-7) is a chemical compound with molecular formula C17H17IN8O4 and molecular weight 524.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4S,5R)-2-[6-[(4-azido-3-iodophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: Iab-adenosine, N(6)-(3-Iodo-4-azidobenzyl)adenosine, n-(4-azido-3-iodobenzyl)adenosine, N-[(4-Azido-3-iodophenyl)methyl]-9-pentofuranosyl-9H-purin-6-amine, N-[(4-Azido-3-iodophenyl)methyl]-9-D-ribofuranosyl-9H-purin-6-amine
| Molecular Formula | C17H17IN8O4 |
|---|---|
| Molecular Weight | 524.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 524.04175 |
| Heavy Atoms | 30 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 6291-02-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1CNC2=C3C(=NC=N2)N(C=N3)C4[C@@H]([C@@H]([C@H](O4)CO)O)O)I)N=[N+]=[N-] |
| InChIKey | NHGZLLXVUYVMQN-IKYDMHQPSA-N |
Product Overview
N(6)-(3-iodo-4-azidobenzyl)adenosine (CAS 6291-02-7), with molecular formula C17H17IN8O4 and molecular weight 524.04 g/mol. IUPAC: (3R,4S,5R)-2-[6-[(4-azido-3-iodophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of N(6)-(3-iodo-4-azidobenzyl)adenosine
Property Insights of N(6)-(3-iodo-4-azidobenzyl)adenosine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N(6)-(3-iodo-4-azidobenzyl)adenosine. The TPSA of 140.0 Ų indicates high polarity, suggesting N(6)-(3-iodo-4-azidobenzyl)adenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N(6)-(3-iodo-4-azidobenzyl)adenosine has 4 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 N(6)-(3-iodo-4-azidobenzyl)adenosine?
The CAS number of N(6)-(3-iodo-4-azidobenzyl)adenosine is 6291-02-7.
What is the molecular formula of N(6)-(3-iodo-4-azidobenzyl)adenosine?
The molecular formula of N(6)-(3-iodo-4-azidobenzyl)adenosine is C17H17IN8O4.
What is the molecular weight of N(6)-(3-iodo-4-azidobenzyl)adenosine?
The molecular weight of N(6)-(3-iodo-4-azidobenzyl)adenosine is 524.04 g/mol.
Where can I buy N(6)-(3-iodo-4-azidobenzyl)adenosine?
You can request a quote for N(6)-(3-iodo-4-azidobenzyl)adenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N(6)-(3-iodo-4-azidobenzyl)adenosine?
Yes, KEHONG BIO provides custom synthesis services for N(6)-(3-iodo-4-azidobenzyl)adenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.