5-chloro-2'-deoxy-4'-ethynyluridine
TL;DR: 5-chloro-2'-deoxy-4'-ethynyluridine (CAS 311348-95-5) is a chemical compound with molecular formula C11H11ClN2O5 and molecular weight 286.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1-[(2R,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Also Known As: 5-chloro-2'-deoxy-4'-ethynyluridine, Uridine,5-chloro-2'-deoxy-4'-C-ethynyl-, J1.445.856E, 1-(2-Deoxy-4-C-ethynyl-beta-D-ribo-pentofuranosyl)-5-chlorouracil, 1-(4-C-Ethynyl-2-deoxy-beta-D-ribo-pentofuranosyl)-5-chlorouracil
| Molecular Formula | C11H11ClN2O5 |
|---|---|
| Molecular Weight | 286.04 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.03564 |
| Heavy Atoms | 19 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 311348-95-5 |
|---|---|
| SMILES | C#C[C@]1([C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)Cl)O)CO |
| InChIKey | WNQRXEJSTSWURD-VAOFZXAKSA-N |
Product Overview
5-chloro-2'-deoxy-4'-ethynyluridine (CAS 311348-95-5), with molecular formula C11H11ClN2O5 and molecular weight 286.04 g/mol. IUPAC: 5-chloro-1-[(2R,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
Chemical Property Profile of 5-chloro-2'-deoxy-4'-ethynyluridine
Property Insights of 5-chloro-2'-deoxy-4'-ethynyluridine
The XLogP value of -0.6 indicates that 5-chloro-2'-deoxy-4'-ethynyluridine 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-chloro-2'-deoxy-4'-ethynyluridine. Following Lipinski's Rule of Five, 5-chloro-2'-deoxy-4'-ethynyluridine 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-chloro-2'-deoxy-4'-ethynyluridine?
The CAS number of 5-chloro-2'-deoxy-4'-ethynyluridine is 311348-95-5.
What is the molecular formula of 5-chloro-2'-deoxy-4'-ethynyluridine?
The molecular formula of 5-chloro-2'-deoxy-4'-ethynyluridine is C11H11ClN2O5.
What is the molecular weight of 5-chloro-2'-deoxy-4'-ethynyluridine?
The molecular weight of 5-chloro-2'-deoxy-4'-ethynyluridine is 286.04 g/mol.
Where can I buy 5-chloro-2'-deoxy-4'-ethynyluridine?
You can request a quote for 5-chloro-2'-deoxy-4'-ethynyluridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-2'-deoxy-4'-ethynyluridine?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-2'-deoxy-4'-ethynyluridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.