5-乙炔基-2'-脱氧尿苷
TL;DR: 5-乙炔基-2'-脱氧尿苷 (CAS 61585-20-4) is a chemical compound with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-乙炔基-2'-脱氧尿苷
5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Also Known As: 5-Ethynyl-2'-deoxyuridine, 5-Ethynyl-2'-dU, 2'-Deoxy-5-ethynyluridine, Uridine, 2'-deoxy-5-ethynyl-, 5-Ethynyl-dUrd
| Molecular Formula | C11H12N2O5 |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.07462 |
| Heavy Atoms | 18 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 61585-20-4 |
|---|---|
| SMILES | C#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O |
| InChIKey | CDEURGJCGCHYFH-DJLDLDEBSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-乙炔基-2'-脱氧尿苷 (CAS 61585-20-4), with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol. IUPAC: 5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
Chemical Property Profile of 5-乙炔基-2'-脱氧尿苷
Property Insights of 5-乙炔基-2'-脱氧尿苷
The XLogP value of -1.3 indicates that 5-乙炔基-2'-脱氧尿苷 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-乙炔基-2'-脱氧尿苷. Following Lipinski's Rule of Five, 5-乙炔基-2'-脱氧尿苷 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-乙炔基-2'-脱氧尿苷?
The CAS number of 5-乙炔基-2'-脱氧尿苷 is 61585-20-4.
What is the molecular formula of 5-乙炔基-2'-脱氧尿苷?
The molecular formula of 5-乙炔基-2'-脱氧尿苷 is C11H12N2O5.
What is the molecular weight of 5-乙炔基-2'-脱氧尿苷?
The molecular weight of 5-乙炔基-2'-脱氧尿苷 is 252.07 g/mol.
Where can I buy 5-乙炔基-2'-脱氧尿苷?
You can request a quote for 5-乙炔基-2'-脱氧尿苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-乙炔基-2'-脱氧尿苷?
Yes, KEHONG BIO provides custom synthesis services for 5-乙炔基-2'-脱氧尿苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.