CTK5H9513
TL;DR: CTK5H9513 (CAS 97776-64-2) is a chemical compound with molecular formula C10H12BrN3O5 and molecular weight 333.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-bromoethenyl)-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione
Also Known As: (E)-5-(2-Bromovinyl)-6-aza-2'-deoxyuridine
| Molecular Formula | C10H12BrN3O5 |
|---|---|
| Molecular Weight | 333.00 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.99603 |
| Heavy Atoms | 19 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 97776-64-2 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C(=O)NC(=O)C(=N2)C=CBr)CO)O |
| InChIKey | RNFMAGOTQSXOBA-XLPZGREQSA-N |
Product Overview
CTK5H9513 (CAS 97776-64-2), with molecular formula C10H12BrN3O5 and molecular weight 333.00 g/mol. IUPAC: 6-(2-bromoethenyl)-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione.
Chemical Property Profile of CTK5H9513
Property Insights of CTK5H9513
The XLogP value of -0.3 indicates that CTK5H9513 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK5H9513. Following Lipinski's Rule of Five, CTK5H9513 has 3 hydrogen bond donor(s) and 6 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 CTK5H9513?
The CAS number of CTK5H9513 is 97776-64-2.
What is the molecular formula of CTK5H9513?
The molecular formula of CTK5H9513 is C10H12BrN3O5.
What is the molecular weight of CTK5H9513?
The molecular weight of CTK5H9513 is 333.00 g/mol.
Where can I buy CTK5H9513?
You can request a quote for CTK5H9513 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5H9513?
Yes, KEHONG BIO provides custom synthesis services for CTK5H9513 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.