CTK3E5298
TL;DR: CTK3E5298 (CAS 80646-51-1) is a chemical compound with molecular formula C11H12BrClN2O4 and molecular weight 349.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-bromoethenyl)-1-[(2R,4S,5R)-4-chloro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Also Known As: 5-(dimethylaminomethyl)furfurylthiol, 5-(2-Bromoethen-1-yl)-3'-chloro-2',3'-dideoxyuridine, Uridine, 5-[(1E)-2-bromoethenyl]-3'-chloro-2',3'-dideoxy-, 5-(2-bromoethenyl)-1-[(2R,4S,5R)-4-chloro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
| Molecular Formula | C11H12BrClN2O4 |
|---|---|
| Molecular Weight | 349.97 g/mol |
| LogP | 0.7894 |
| Topological Polar Surface Area | 84.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.9669 |
| Heavy Atoms | 19 |
| Complexity | 597.0934 |
Chemical Identifiers
| CAS Number | 80646-51-1 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C=CBr)CO)Cl |
Product Overview
CTK3E5298 (CAS 80646-51-1), with molecular formula C11H12BrClN2O4 and molecular weight 349.97 g/mol. IUPAC: 5-(2-bromoethenyl)-1-[(2R,4S,5R)-4-chloro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
Chemical Property Profile of CTK3E5298
Property Insights of CTK3E5298
The XLogP value of 0.7894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK3E5298. The TPSA of 84.32 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK3E5298. Following Lipinski's Rule of Five, CTK3E5298 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 CTK3E5298?
The CAS number of CTK3E5298 is 80646-51-1.
What is the molecular formula of CTK3E5298?
The molecular formula of CTK3E5298 is C11H12BrClN2O4.
What is the molecular weight of CTK3E5298?
The molecular weight of CTK3E5298 is 349.97 g/mol.
Where can I buy CTK3E5298?
You can request a quote for CTK3E5298 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3E5298?
Yes, KEHONG BIO provides custom synthesis services for CTK3E5298 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.