1,3-Dideazaadenosine
TL;DR: 1,3-Dideazaadenosine (CAS 20649-47-2) is a chemical compound with molecular formula C12H15N3O4 and molecular weight 265.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5R)-2-(4-aminobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: 1,3-Dideazaadenosine, Adenosine receptor agonist, 7, 1-Pentofuranosyl-1H-benzimidazol-4-amine, 9-(1'-, A-D-ribofuranosyl)-1,3-dideazaadenine
| Molecular Formula | C12H15N3O4 |
|---|---|
| Molecular Weight | 265.11 g/mol |
| LogP | -0.77 |
| Topological Polar Surface Area | 113.76 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.10626 |
| Heavy Atoms | 19 |
| Complexity | 599.67206 |
Chemical Identifiers
| CAS Number | 20649-47-2 |
|---|---|
| SMILES | C1=CC(=C2C(=C1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N |
Product Overview
1,3-Dideazaadenosine (CAS 20649-47-2), with molecular formula C12H15N3O4 and molecular weight 265.11 g/mol. IUPAC: (2R,3R,4S,5R)-2-(4-aminobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of 1,3-Dideazaadenosine
Property Insights of 1,3-Dideazaadenosine
The XLogP value of -0.77 indicates that 1,3-Dideazaadenosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dideazaadenosine. Following Lipinski's Rule of Five, 1,3-Dideazaadenosine has 4 hydrogen bond donor(s) and 6 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 1,3-Dideazaadenosine?
The CAS number of 1,3-Dideazaadenosine is 20649-47-2.
What is the molecular formula of 1,3-Dideazaadenosine?
The molecular formula of 1,3-Dideazaadenosine is C12H15N3O4.
What is the molecular weight of 1,3-Dideazaadenosine?
The molecular weight of 1,3-Dideazaadenosine is 265.11 g/mol.
Where can I buy 1,3-Dideazaadenosine?
You can request a quote for 1,3-Dideazaadenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dideazaadenosine?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dideazaadenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.