3-Iodo-N(6)-4-aminobenzyladenosine
TL;DR: 3-Iodo-N(6)-4-aminobenzyladenosine (CAS 98866-49-0) is a chemical compound with molecular formula C17H19IN6O4 and molecular weight 498.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5R)-2-[6-[(4-amino-3-iodophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: IABA, I-ABA, 3-Iodo-N(6)-4-aminobenzyladenosine, GTPL458, N(6)-(4-Amino-3-iodobenzyl)adenosine
| Molecular Formula | C17H19IN6O4 |
|---|---|
| Molecular Weight | 498.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.05124 |
| Heavy Atoms | 28 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 98866-49-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)I)N |
| InChIKey | REGZQZHKIFOMRK-LSCFUAHRSA-N |
Product Overview
3-Iodo-N(6)-4-aminobenzyladenosine (CAS 98866-49-0), with molecular formula C17H19IN6O4 and molecular weight 498.05 g/mol. IUPAC: (2R,3R,4S,5R)-2-[6-[(4-amino-3-iodophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of 3-Iodo-N(6)-4-aminobenzyladenosine
Property Insights of 3-Iodo-N(6)-4-aminobenzyladenosine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Iodo-N(6)-4-aminobenzyladenosine. The TPSA of 152.0 Ų indicates high polarity, suggesting 3-Iodo-N(6)-4-aminobenzyladenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Iodo-N(6)-4-aminobenzyladenosine has 5 hydrogen bond donor(s) and 9 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 3-Iodo-N(6)-4-aminobenzyladenosine?
The CAS number of 3-Iodo-N(6)-4-aminobenzyladenosine is 98866-49-0.
What is the molecular formula of 3-Iodo-N(6)-4-aminobenzyladenosine?
The molecular formula of 3-Iodo-N(6)-4-aminobenzyladenosine is C17H19IN6O4.
What is the molecular weight of 3-Iodo-N(6)-4-aminobenzyladenosine?
The molecular weight of 3-Iodo-N(6)-4-aminobenzyladenosine is 498.05 g/mol.
Where can I buy 3-Iodo-N(6)-4-aminobenzyladenosine?
You can request a quote for 3-Iodo-N(6)-4-aminobenzyladenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Iodo-N(6)-4-aminobenzyladenosine?
Yes, KEHONG BIO provides custom synthesis services for 3-Iodo-N(6)-4-aminobenzyladenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.