2'-Deoxy-5-(5-isothiazolyl)uridine
TL;DR: 2'-Deoxy-5-(5-isothiazolyl)uridine (CAS 169687-89-2) is a chemical compound with molecular formula C12H13N3O5S and molecular weight 311.06 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-thiazol-5-yl)pyrimidine-2,4-dione
Also Known As: 2'-Deoxy-5-(5-isothiazolyl)uridine, 2 -Deoxy-5-(5-isothiazolyl)uridine, 1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-isothiazol-5-yl-1H-pyrimidine-2,4-dione, 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1,2-thiazol-5-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione, 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1,2-thiazol-5-yl)pyrimidine-2,4-dione
| Molecular Formula | C12H13N3O5S |
|---|---|
| Molecular Weight | 311.06 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.0576 |
| Heavy Atoms | 21 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 169687-89-2 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C3=CC=NS3)CO)O |
| InChIKey | VGJLSYLVGXYTJJ-QXFUBDJGSA-N |
Product Overview
2'-Deoxy-5-(5-isothiazolyl)uridine (CAS 169687-89-2), with molecular formula C12H13N3O5S and molecular weight 311.06 g/mol. IUPAC: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1,2-thiazol-5-yl)pyrimidine-2,4-dione.
Chemical Property Profile of 2'-Deoxy-5-(5-isothiazolyl)uridine
Property Insights of 2'-Deoxy-5-(5-isothiazolyl)uridine
The XLogP value of -0.8 indicates that 2'-Deoxy-5-(5-isothiazolyl)uridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 140.0 Ų indicates high polarity, suggesting 2'-Deoxy-5-(5-isothiazolyl)uridine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2'-Deoxy-5-(5-isothiazolyl)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-isothiazolyl)uridine?
The CAS number of 2'-Deoxy-5-(5-isothiazolyl)uridine is 169687-89-2.
What is the molecular formula of 2'-Deoxy-5-(5-isothiazolyl)uridine?
The molecular formula of 2'-Deoxy-5-(5-isothiazolyl)uridine is C12H13N3O5S.
What is the molecular weight of 2'-Deoxy-5-(5-isothiazolyl)uridine?
The molecular weight of 2'-Deoxy-5-(5-isothiazolyl)uridine is 311.06 g/mol.
Where can I buy 2'-Deoxy-5-(5-isothiazolyl)uridine?
You can request a quote for 2'-Deoxy-5-(5-isothiazolyl)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-isothiazolyl)uridine?
Yes, KEHONG BIO provides custom synthesis services for 2'-Deoxy-5-(5-isothiazolyl)uridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.