CTK3J8826
TL;DR: CTK3J8826 (CAS 100348-16-1) is a chemical compound with molecular formula C10H11BrFN3O5 and molecular weight 350.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-bromo-2-fluoroethenyl)-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione
Also Known As: (E)-5-(2-Bromo-2-fluorovinyl)-6-aza-2'-deoxy-uridine, 1,2,4-Triazine-3,5(2H,4H)-dione,6-(2-bromo-2-fluoroethenyl)-2-(2-deoxy-b-D-erythro-pentofuranosyl)-, (E)- (9CI)
| Molecular Formula | C10H11BrFN3O5 |
|---|---|
| Molecular Weight | 350.99 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.9866 |
| Heavy Atoms | 20 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 100348-16-1 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C(=O)NC(=O)C(=N2)C=C(F)Br)CO)O |
| InChIKey | PZHAXONLZUCDNN-SHYZEUOFSA-N |
Product Overview
CTK3J8826 (CAS 100348-16-1), with molecular formula C10H11BrFN3O5 and molecular weight 350.99 g/mol. IUPAC: 6-(2-bromo-2-fluoroethenyl)-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione.
Chemical Property Profile of CTK3J8826
Property Insights of CTK3J8826
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK3J8826. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK3J8826. Following Lipinski's Rule of Five, CTK3J8826 has 3 hydrogen bond donor(s) and 7 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 CTK3J8826?
The CAS number of CTK3J8826 is 100348-16-1.
What is the molecular formula of CTK3J8826?
The molecular formula of CTK3J8826 is C10H11BrFN3O5.
What is the molecular weight of CTK3J8826?
The molecular weight of CTK3J8826 is 350.99 g/mol.
Where can I buy CTK3J8826?
You can request a quote for CTK3J8826 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3J8826?
Yes, KEHONG BIO provides custom synthesis services for CTK3J8826 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.