2'-Deoxynebularine
TL;DR: 2'-Deoxynebularine (CAS 4546-68-3) is a chemical compound with molecular formula C10H12N4O3 and molecular weight 236.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,5R)-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol
Also Known As: 2'-Deoxynebularine, Purine deoxyribonucleoside, 6-deamino-2'-deoxyadenosine, 9-(beta-D-2'-Deoxyribofuranosyl)purine, 2'-deoxy-N-D-ribosylpurine
| Molecular Formula | C10H12N4O3 |
|---|---|
| Molecular Weight | 236.09 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.09094 |
| Heavy Atoms | 17 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 4546-68-3 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=NC3=CN=CN=C32)CO)O |
| InChIKey | WJBNIBFTNGZFBW-DJLDLDEBSA-N |
Product Overview
2'-Deoxynebularine (CAS 4546-68-3), with molecular formula C10H12N4O3 and molecular weight 236.09 g/mol. IUPAC: (2R,3S,5R)-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol.
Chemical Property Profile of 2'-Deoxynebularine
Property Insights of 2'-Deoxynebularine
The XLogP value of -0.9 indicates that 2'-Deoxynebularine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Deoxynebularine. Following Lipinski's Rule of Five, 2'-Deoxynebularine has 2 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 2'-Deoxynebularine?
The CAS number of 2'-Deoxynebularine is 4546-68-3.
What is the molecular formula of 2'-Deoxynebularine?
The molecular formula of 2'-Deoxynebularine is C10H12N4O3.
What is the molecular weight of 2'-Deoxynebularine?
The molecular weight of 2'-Deoxynebularine is 236.09 g/mol.
Where can I buy 2'-Deoxynebularine?
You can request a quote for 2'-Deoxynebularine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Deoxynebularine?
Yes, KEHONG BIO provides custom synthesis services for 2'-Deoxynebularine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.