Acetic acid, selenocyano-, butyl ester
TL;DR: Acetic acid, selenocyano-, butyl ester (CAS 63906-49-0) is a chemical compound with molecular formula C7H11NO2Se and molecular weight 220.9955 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl 2-selenocyanatoacetate
Also Known As: Butyl selenocyanoacetate, butyl 2-selenocyanatoacetate, butyl selenocyanatoacetate, Butyl (selenocyanato)acetate, ACETIC ACID, SELENOCYANO-, BUTYL ESTER
Technical Specifications
| Molecular Formula | C7H11NO2Se |
| Molecular Weight | 220.9955 g/mol |
| XLogP | 0.93 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 220.9955 Da |
| Heavy Atoms | 11 |
| Complexity | 161.0 |
| SMILES | CCCCOC(=O)C[Se]C#N |
| InChIKey | MQIZVJNTYOXPPF-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, selenocyano-, butyl ester
Property Insights of Acetic acid, selenocyano-, butyl ester
The XLogP value of 0.93 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, selenocyano-, butyl ester. With a topological polar surface area (TPSA) of 50.1 Ų, Acetic acid, selenocyano-, butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, selenocyano-, butyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acetic acid, selenocyano-, butyl ester?
The CAS number of Acetic acid, selenocyano-, butyl ester is 63906-49-0.
What is the molecular formula of Acetic acid, selenocyano-, butyl ester?
The molecular formula of Acetic acid, selenocyano-, butyl ester is C7H11NO2Se.
What is the molecular weight of Acetic acid, selenocyano-, butyl ester?
The molecular weight of Acetic acid, selenocyano-, butyl ester is 220.9955 g/mol.
Where can I buy Acetic acid, selenocyano-, butyl ester?
You can request a quote for Acetic acid, selenocyano-, butyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, selenocyano-, butyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, selenocyano-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.