3-Deazaadenosine
TL;DR: 3-Deazaadenosine (CAS 6736-58-9) is a chemical compound with molecular formula C11H14N4O4 and molecular weight 266.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5R)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: 3-DEAZAADENOSINE, 3-deaza-adenosine, Deaza-Ado, 3-Deaza Adenosine, Adenosine, 3-deaza-
| Molecular Formula | C11H14N4O4 |
|---|---|
| Molecular Weight | 266.10 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.1015 |
| Heavy Atoms | 19 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 6736-58-9 |
|---|---|
| SMILES | C1=CN=C(C2=C1N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N |
| InChIKey | DBZQFUNLCALWDY-PNHWDRBUSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Deazaadenosine (CAS 6736-58-9), with molecular formula C11H14N4O4 and molecular weight 266.10 g/mol. IUPAC: (2R,3R,4S,5R)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of 3-Deazaadenosine
Property Insights of 3-Deazaadenosine
The XLogP value of -1.6 indicates that 3-Deazaadenosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Deazaadenosine. Following Lipinski's Rule of Five, 3-Deazaadenosine has 4 hydrogen bond donor(s) and 7 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-Deazaadenosine?
The CAS number of 3-Deazaadenosine is 6736-58-9.
What is the molecular formula of 3-Deazaadenosine?
The molecular formula of 3-Deazaadenosine is C11H14N4O4.
What is the molecular weight of 3-Deazaadenosine?
The molecular weight of 3-Deazaadenosine is 266.10 g/mol.
Where can I buy 3-Deazaadenosine?
You can request a quote for 3-Deazaadenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Deazaadenosine?
Yes, KEHONG BIO provides custom synthesis services for 3-Deazaadenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.