5-(1-Propynyl)-2'-deoxyuridine
TL;DR: 5-(1-Propynyl)-2'-deoxyuridine (CAS 84558-94-1) is a chemical compound with molecular formula C12H14N2O5 and molecular weight 266.09 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-prop-1-ynylpyrimidine-2,4-dione
Also Known As: 5-(1-propynyl)-2'-deoxyuridine, 5-propynyl-dUrd, PYdU, 5-PROPYNYL-2'-DEOXYURIDINE, 2'-deoxy-5-propynyluridine
| Molecular Formula | C12H14N2O5 |
|---|---|
| Molecular Weight | 266.09 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.09027 |
| Heavy Atoms | 19 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 84558-94-1 |
|---|---|
| SMILES | CC#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O |
| InChIKey | HFJMJLXCBVKXNY-IVZWLZJFSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(1-Propynyl)-2'-deoxyuridine (CAS 84558-94-1), with molecular formula C12H14N2O5 and molecular weight 266.09 g/mol. IUPAC: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-ynylpyrimidine-2,4-dione.
Chemical Property Profile of 5-(1-Propynyl)-2'-deoxyuridine
Property Insights of 5-(1-Propynyl)-2'-deoxyuridine
The XLogP value of -0.8 indicates that 5-(1-Propynyl)-2'-deoxyuridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1-Propynyl)-2'-deoxyuridine. Following Lipinski's Rule of Five, 5-(1-Propynyl)-2'-deoxyuridine 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-(1-Propynyl)-2'-deoxyuridine?
The CAS number of 5-(1-Propynyl)-2'-deoxyuridine is 84558-94-1.
What is the molecular formula of 5-(1-Propynyl)-2'-deoxyuridine?
The molecular formula of 5-(1-Propynyl)-2'-deoxyuridine is C12H14N2O5.
What is the molecular weight of 5-(1-Propynyl)-2'-deoxyuridine?
The molecular weight of 5-(1-Propynyl)-2'-deoxyuridine is 266.09 g/mol.
Where can I buy 5-(1-Propynyl)-2'-deoxyuridine?
You can request a quote for 5-(1-Propynyl)-2'-deoxyuridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1-Propynyl)-2'-deoxyuridine?
Yes, KEHONG BIO provides custom synthesis services for 5-(1-Propynyl)-2'-deoxyuridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.