Ethaneperoxoic acid, 1-cyano-1,4-diphenylpentyl ester
TL;DR: Ethaneperoxoic acid, 1-cyano-1,4-diphenylpentyl ester (CAS 58422-77-8) is a chemical compound with molecular formula C20H21NO3 and molecular weight 323.15213 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-cyano-1,4-diphenylpentyl) ethaneperoxoate
Also Known As: 1-Cyano-1,4-diphenylpentyl ethaneperoxoate, Ethaneperoxoic acid, 1-cyano-1,4-diphenylpentyl ester, (1-cyano-1,4-diphenylpentyl) ethaneperoxoate, 1-Cyano-1,4-diphenylpentyl ethaneperoxoate #, Peracetic acid 1-cyano-1,4-diphenylpentyl ester
Technical Specifications
| Molecular Formula | C20H21NO3 |
| Molecular Weight | 323.15213 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 323.15213 Da |
| Heavy Atoms | 24 |
| Complexity | 443.0 |
| SMILES | CC(CCC(C#N)(C1=CC=CC=C1)OOC(=O)C)C2=CC=CC=C2 |
| InChIKey | UTWKMHXCAQZNFZ-UHFFFAOYSA-N |
Chemical Property Profile of Ethaneperoxoic acid, 1-cyano-1,4-diphenylpentyl ester
Property Insights of Ethaneperoxoic acid, 1-cyano-1,4-diphenylpentyl ester
The XLogP value of 4.5 indicates that Ethaneperoxoic acid, 1-cyano-1,4-diphenylpentyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, Ethaneperoxoic acid, 1-cyano-1,4-diphenylpentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethaneperoxoic acid, 1-cyano-1,4-diphenylpentyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethaneperoxoic acid, 1-cyano-1,4-diphenylpentyl ester?
The CAS number of Ethaneperoxoic acid, 1-cyano-1,4-diphenylpentyl ester is 58422-77-8.
What is the molecular formula of Ethaneperoxoic acid, 1-cyano-1,4-diphenylpentyl ester?
The molecular formula of Ethaneperoxoic acid, 1-cyano-1,4-diphenylpentyl ester is C20H21NO3.
What is the molecular weight of Ethaneperoxoic acid, 1-cyano-1,4-diphenylpentyl ester?
The molecular weight of Ethaneperoxoic acid, 1-cyano-1,4-diphenylpentyl ester is 323.15213 g/mol.
Where can I buy Ethaneperoxoic acid, 1-cyano-1,4-diphenylpentyl ester?
You can request a quote for Ethaneperoxoic acid, 1-cyano-1,4-diphenylpentyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethaneperoxoic acid, 1-cyano-1,4-diphenylpentyl ester?
Yes, CoreyChem provides custom synthesis services for Ethaneperoxoic acid, 1-cyano-1,4-diphenylpentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.