Ethaneperoxoic acid, 1-cyano-1,4-diphenylbutyl ester
TL;DR: Ethaneperoxoic acid, 1-cyano-1,4-diphenylbutyl ester (CAS 58422-76-7) is a chemical compound with molecular formula C19H19NO3 and molecular weight 309.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-cyano-1,4-diphenylbutyl) ethaneperoxoate
Also Known As: 1-Cyano-1,4-diphenylbutyl ethaneperoxoate, Ethaneperoxoic acid, 1-cyano-1,4-diphenylbutyl ester, (1-cyano-1,4-diphenylbutyl) ethaneperoxoate, 1-Cyano-1,4-diphenylbutyl ethaneperoxoate #, Peracetic acid 1-cyano-1,4-diphenylbutyl ester
| Molecular Formula | C19H19NO3 |
|---|---|
| Molecular Weight | 309.14 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 309.1365 |
| Heavy Atoms | 23 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 58422-76-7 |
|---|---|
| SMILES | CC(=O)OOC(CCCC1=CC=CC=C1)(C#N)C2=CC=CC=C2 |
| InChIKey | MMZVFPJIJDEWMC-UHFFFAOYSA-N |
Product Overview
Ethaneperoxoic acid, 1-cyano-1,4-diphenylbutyl ester (CAS 58422-76-7), with molecular formula C19H19NO3 and molecular weight 309.14 g/mol. IUPAC: (1-cyano-1,4-diphenylbutyl) ethaneperoxoate.
Chemical Property Profile of Ethaneperoxoic acid, 1-cyano-1,4-diphenylbutyl ester
Property Insights of Ethaneperoxoic acid, 1-cyano-1,4-diphenylbutyl ester
The XLogP value of 4.1 indicates that Ethaneperoxoic acid, 1-cyano-1,4-diphenylbutyl 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-diphenylbutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethaneperoxoic acid, 1-cyano-1,4-diphenylbutyl 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
Frequently Asked Questions
What is the CAS number of Ethaneperoxoic acid, 1-cyano-1,4-diphenylbutyl ester?
The CAS number of Ethaneperoxoic acid, 1-cyano-1,4-diphenylbutyl ester is 58422-76-7.
What is the molecular formula of Ethaneperoxoic acid, 1-cyano-1,4-diphenylbutyl ester?
The molecular formula of Ethaneperoxoic acid, 1-cyano-1,4-diphenylbutyl ester is C19H19NO3.
What is the molecular weight of Ethaneperoxoic acid, 1-cyano-1,4-diphenylbutyl ester?
The molecular weight of Ethaneperoxoic acid, 1-cyano-1,4-diphenylbutyl ester is 309.14 g/mol.
Where can I buy Ethaneperoxoic acid, 1-cyano-1,4-diphenylbutyl ester?
You can request a quote for Ethaneperoxoic acid, 1-cyano-1,4-diphenylbutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethaneperoxoic acid, 1-cyano-1,4-diphenylbutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Ethaneperoxoic acid, 1-cyano-1,4-diphenylbutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.