5-tert-Butyl-2'-deoxy-4'-thiouridine
TL;DR: 5-tert-Butyl-2'-deoxy-4'-thiouridine (CAS 174357-93-8) is a chemical compound with molecular formula C13H20N2O4S and molecular weight 300.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
Also Known As: 5-tert-Butyl-2'-deoxy-4'-thiouridine, 2'-Deoxy-5-(1,1-dimethylethyl)-4'-thiouridine, uridine, 2'-deoxy-5-(1,1-dimethylethyl)-4'-thio-, 1-(2-Deoxy-4-thio-beta-D-erythro-pentofuranosyl)-5-tert-butyluracil, 1-[4alpha-Hydroxy-5beta-(hydroxymethyl)tetrahydrothiophene-2beta-yl]-5-(tert-butyl)uracil
| Molecular Formula | C13H20N2O4S |
|---|---|
| Molecular Weight | 300.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.11438 |
| Heavy Atoms | 20 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 174357-93-8 |
|---|---|
| SMILES | CC(C)(C)C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](S2)CO)O |
| InChIKey | LLAYHABBEHJNRR-IVZWLZJFSA-N |
Product Overview
5-tert-Butyl-2'-deoxy-4'-thiouridine (CAS 174357-93-8), with molecular formula C13H20N2O4S and molecular weight 300.11 g/mol. IUPAC: 5-tert-butyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione.
Chemical Property Profile of 5-tert-Butyl-2'-deoxy-4'-thiouridine
Property Insights of 5-tert-Butyl-2'-deoxy-4'-thiouridine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-tert-Butyl-2'-deoxy-4'-thiouridine. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-tert-Butyl-2'-deoxy-4'-thiouridine. Following Lipinski's Rule of Five, 5-tert-Butyl-2'-deoxy-4'-thiouridine has 3 hydrogen bond donor(s) and 5 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 5-tert-Butyl-2'-deoxy-4'-thiouridine?
The CAS number of 5-tert-Butyl-2'-deoxy-4'-thiouridine is 174357-93-8.
What is the molecular formula of 5-tert-Butyl-2'-deoxy-4'-thiouridine?
The molecular formula of 5-tert-Butyl-2'-deoxy-4'-thiouridine is C13H20N2O4S.
What is the molecular weight of 5-tert-Butyl-2'-deoxy-4'-thiouridine?
The molecular weight of 5-tert-Butyl-2'-deoxy-4'-thiouridine is 300.11 g/mol.
Where can I buy 5-tert-Butyl-2'-deoxy-4'-thiouridine?
You can request a quote for 5-tert-Butyl-2'-deoxy-4'-thiouridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-tert-Butyl-2'-deoxy-4'-thiouridine?
Yes, KEHONG BIO provides custom synthesis services for 5-tert-Butyl-2'-deoxy-4'-thiouridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.