Endalin
TL;DR: Endalin (CAS 49602-39-3) is a chemical compound with molecular formula C9H12FN3O3 and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Also Known As: Endalin, Dexelvucitabine, Endoxin, FddC, Ouabain-like factor
| Molecular Formula | C9H12FN3O3 |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 88.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.08627 |
| Heavy Atoms | 16 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 49602-39-3 |
|---|---|
| SMILES | C1CC(OC1CO)N2C=C(C(=NC2=O)N)F |
| InChIKey | QBEIABZPRBJOFU-UHFFFAOYSA-N |
Product Overview
Endalin (CAS 49602-39-3), with molecular formula C9H12FN3O3 and molecular weight 229.09 g/mol. IUPAC: 4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.
Chemical Property Profile of Endalin
Property Insights of Endalin
The XLogP value of -1.1 indicates that Endalin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Endalin. Following Lipinski's Rule of Five, Endalin has 2 hydrogen bond donor(s) and 4 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 Endalin?
The CAS number of Endalin is 49602-39-3.
What is the molecular formula of Endalin?
The molecular formula of Endalin is C9H12FN3O3.
What is the molecular weight of Endalin?
The molecular weight of Endalin is 229.09 g/mol.
Where can I buy Endalin?
You can request a quote for Endalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Endalin?
Yes, KEHONG BIO provides custom synthesis services for Endalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.