Kbr 2822
TL;DR: Kbr 2822 (CAS 126989-11-5) is a chemical compound with molecular formula C9H15ClF3O3PS and molecular weight 326.01202 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-3-[ethoxy(propylsulfanyl)phosphoryl]oxy-1,1,2-trifluorocyclobutane
Also Known As: KBR 2822, O-(2-Chloro-2,3,3-trifluorocyclobutyl) O-ethyl S-propyl phosphorothioate, 2-chloro-3-[ethoxy(propylsulfanyl)phosphoryl]oxy-1,1,2-trifluorocyclobutane, Phosphorothioic acid, O-(2-chloro-2,3,3-trifluorocyclobutyl) O-ethyl S-propyl ester, 2-chloro-2,3,3-trifluorocyclobutyl ethyl (propylsulfanyl)phosphonate
Technical Specifications
| Molecular Formula | C9H15ClF3O3PS |
| Molecular Weight | 326.01202 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 326.01202 Da |
| Heavy Atoms | 18 |
| Complexity | 347.0 |
| SMILES | CCCSP(=O)(OCC)OC1CC(C1(F)Cl)(F)F |
| InChIKey | DEMICWQHGWSYPB-UHFFFAOYSA-N |
Chemical Property Profile of Kbr 2822
Property Insights of Kbr 2822
The XLogP value of 3.0 indicates that Kbr 2822 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Kbr 2822. Following Lipinski's Rule of Five, Kbr 2822 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Kbr 2822?
The CAS number of Kbr 2822 is 126989-11-5.
What is the molecular formula of Kbr 2822?
The molecular formula of Kbr 2822 is C9H15ClF3O3PS.
What is the molecular weight of Kbr 2822?
The molecular weight of Kbr 2822 is 326.01202 g/mol.
Where can I buy Kbr 2822?
You can request a quote for Kbr 2822 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Kbr 2822?
Yes, CoreyChem provides custom synthesis services for Kbr 2822 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.