2'-Deoxy-5-(5-isoxazolyl)uridine
TL;DR: 2'-Deoxy-5-(5-isoxazolyl)uridine (CAS 146629-37-0) is a chemical compound with molecular formula C12H13N3O6 and molecular weight 295.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1,2-oxazol-5-yl)pyrimidine-2,4-dione
Also Known As: 2'-Deoxy-5-(5-isoxazolyl)uridine, Uridine, 2'-deoxy-5-(5-isoxazolyl)-, 5-(Isoxazol-5-yl)-2 -deoxyuridine, 1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-isoxazol-5-yl-1H-pyrimidine-2,4-dione, 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1,2-oxazol-5-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C12H13N3O6 |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.08044 |
| Heavy Atoms | 21 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 146629-37-0 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C3=CC=NO3)CO)O |
| InChIKey | KPQSIUAPOSYYJU-FXBDTBDDSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2'-Deoxy-5-(5-isoxazolyl)uridine (CAS 146629-37-0), with molecular formula C12H13N3O6 and molecular weight 295.08 g/mol. IUPAC: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1,2-oxazol-5-yl)pyrimidine-2,4-dione.
Chemical Property Profile of 2'-Deoxy-5-(5-isoxazolyl)uridine
Property Insights of 2'-Deoxy-5-(5-isoxazolyl)uridine
The XLogP value of -1.4 indicates that 2'-Deoxy-5-(5-isoxazolyl)uridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Deoxy-5-(5-isoxazolyl)uridine. Following Lipinski's Rule of Five, 2'-Deoxy-5-(5-isoxazolyl)uridine has 3 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 2'-Deoxy-5-(5-isoxazolyl)uridine?
The CAS number of 2'-Deoxy-5-(5-isoxazolyl)uridine is 146629-37-0.
What is the molecular formula of 2'-Deoxy-5-(5-isoxazolyl)uridine?
The molecular formula of 2'-Deoxy-5-(5-isoxazolyl)uridine is C12H13N3O6.
What is the molecular weight of 2'-Deoxy-5-(5-isoxazolyl)uridine?
The molecular weight of 2'-Deoxy-5-(5-isoxazolyl)uridine is 295.08 g/mol.
Where can I buy 2'-Deoxy-5-(5-isoxazolyl)uridine?
You can request a quote for 2'-Deoxy-5-(5-isoxazolyl)uridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Deoxy-5-(5-isoxazolyl)uridine?
Yes, KEHONG BIO provides custom synthesis services for 2'-Deoxy-5-(5-isoxazolyl)uridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.