3-Deaza-2'-deoxyadenosine
TL;DR: 3-Deaza-2'-deoxyadenosine (CAS 78582-17-9) is a chemical compound with molecular formula C11H14N4O3 and molecular weight 250.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
Also Known As: 3-Deaza-2'-deoxyadenosine, 3'-Deazaadenosine, 2'-Deoxy-3-deazaadenosine, 3-Deaza-2'-dA, 3-Deaza-2-Deoxyadenosine
| Molecular Formula | C11H14N4O3 |
|---|---|
| Molecular Weight | 250.11 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.1066 |
| Heavy Atoms | 18 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 78582-17-9 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2C=CN=C3N)CO)O |
| InChIKey | KMQPIRJQPAVGJL-DJLDLDEBSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Deaza-2'-deoxyadenosine (CAS 78582-17-9), with molecular formula C11H14N4O3 and molecular weight 250.11 g/mol. IUPAC: (2R,3S,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-ol.
Chemical Property Profile of 3-Deaza-2'-deoxyadenosine
Property Insights of 3-Deaza-2'-deoxyadenosine
The XLogP value of -0.6 indicates that 3-Deaza-2'-deoxyadenosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Deaza-2'-deoxyadenosine. Following Lipinski's Rule of Five, 3-Deaza-2'-deoxyadenosine has 3 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 3-Deaza-2'-deoxyadenosine?
The CAS number of 3-Deaza-2'-deoxyadenosine is 78582-17-9.
What is the molecular formula of 3-Deaza-2'-deoxyadenosine?
The molecular formula of 3-Deaza-2'-deoxyadenosine is C11H14N4O3.
What is the molecular weight of 3-Deaza-2'-deoxyadenosine?
The molecular weight of 3-Deaza-2'-deoxyadenosine is 250.11 g/mol.
Where can I buy 3-Deaza-2'-deoxyadenosine?
You can request a quote for 3-Deaza-2'-deoxyadenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Deaza-2'-deoxyadenosine?
Yes, KEHONG BIO provides custom synthesis services for 3-Deaza-2'-deoxyadenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.