2'-deoxy-4'-ethynyl-5-fluorocytidine
TL;DR: 2'-deoxy-4'-ethynyl-5-fluorocytidine (CAS 311348-99-9) is a chemical compound with molecular formula C11H12FN3O4 and molecular weight 269.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-[(2R,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one
Also Known As: 2'-deoxy-4'-ethynyl-5-fluorocytidine, 4'-Ethynyl-2'-deoxy-5-fluorocytidine, 2'-Deoxy-4'-C-ethynyl-5-fluorocytidine, 4 -Ethynyl-5-fluoro-2 -deoxycytidine, J1.437.737I
| Molecular Formula | C11H12FN3O4 |
|---|---|
| Molecular Weight | 269.08 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.08118 |
| Heavy Atoms | 19 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 311348-99-9 |
|---|---|
| SMILES | C#C[C@]1([C@H](C[C@@H](O1)N2C=C(C(=NC2=O)N)F)O)CO |
| InChIKey | NFKCHWDAWIBZKR-VAOFZXAKSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2'-deoxy-4'-ethynyl-5-fluorocytidine (CAS 311348-99-9), with molecular formula C11H12FN3O4 and molecular weight 269.08 g/mol. IUPAC: 4-amino-1-[(2R,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one.
Chemical Property Profile of 2'-deoxy-4'-ethynyl-5-fluorocytidine
Property Insights of 2'-deoxy-4'-ethynyl-5-fluorocytidine
The XLogP value of -1.4 indicates that 2'-deoxy-4'-ethynyl-5-fluorocytidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-deoxy-4'-ethynyl-5-fluorocytidine. Following Lipinski's Rule of Five, 2'-deoxy-4'-ethynyl-5-fluorocytidine 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 2'-deoxy-4'-ethynyl-5-fluorocytidine?
The CAS number of 2'-deoxy-4'-ethynyl-5-fluorocytidine is 311348-99-9.
What is the molecular formula of 2'-deoxy-4'-ethynyl-5-fluorocytidine?
The molecular formula of 2'-deoxy-4'-ethynyl-5-fluorocytidine is C11H12FN3O4.
What is the molecular weight of 2'-deoxy-4'-ethynyl-5-fluorocytidine?
The molecular weight of 2'-deoxy-4'-ethynyl-5-fluorocytidine is 269.08 g/mol.
Where can I buy 2'-deoxy-4'-ethynyl-5-fluorocytidine?
You can request a quote for 2'-deoxy-4'-ethynyl-5-fluorocytidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-deoxy-4'-ethynyl-5-fluorocytidine?
Yes, KEHONG BIO provides custom synthesis services for 2'-deoxy-4'-ethynyl-5-fluorocytidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.