Ethaneperoxoic acid, 1-cyano-1-phenylpentyl ester
TL;DR: Ethaneperoxoic acid, 1-cyano-1-phenylpentyl ester (CAS 58422-73-4) is a chemical compound with molecular formula C14H17NO3 and molecular weight 247.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-cyano-1-phenylpentyl) ethaneperoxoate
Also Known As: 1-Cyano-1-phenylpentyl ethaneperoxoate, Ethaneperoxoic acid, 1-cyano-1-phenylpentyl ester, Peraceticacid1-cyano-1-phenylpentylester, (1-cyano-1-phenylpentyl) ethaneperoxoate, 1-Cyano-1-phenylpentyl ethaneperoxoate #
| Molecular Formula | C14H17NO3 |
|---|---|
| Molecular Weight | 247.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 247.12085 |
| Heavy Atoms | 18 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 58422-73-4 |
|---|---|
| SMILES | CCCCC(C#N)(C1=CC=CC=C1)OOC(=O)C |
| InChIKey | JEYGASJALPARGD-UHFFFAOYSA-N |
Product Overview
Ethaneperoxoic acid, 1-cyano-1-phenylpentyl ester (CAS 58422-73-4), with molecular formula C14H17NO3 and molecular weight 247.12 g/mol. IUPAC: (1-cyano-1-phenylpentyl) ethaneperoxoate.
Chemical Property Profile of Ethaneperoxoic acid, 1-cyano-1-phenylpentyl ester
Property Insights of Ethaneperoxoic acid, 1-cyano-1-phenylpentyl ester
The XLogP value of 3.3 indicates that Ethaneperoxoic acid, 1-cyano-1-phenylpentyl 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-phenylpentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethaneperoxoic acid, 1-cyano-1-phenylpentyl 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-phenylpentyl ester?
The CAS number of Ethaneperoxoic acid, 1-cyano-1-phenylpentyl ester is 58422-73-4.
What is the molecular formula of Ethaneperoxoic acid, 1-cyano-1-phenylpentyl ester?
The molecular formula of Ethaneperoxoic acid, 1-cyano-1-phenylpentyl ester is C14H17NO3.
What is the molecular weight of Ethaneperoxoic acid, 1-cyano-1-phenylpentyl ester?
The molecular weight of Ethaneperoxoic acid, 1-cyano-1-phenylpentyl ester is 247.12 g/mol.
Where can I buy Ethaneperoxoic acid, 1-cyano-1-phenylpentyl ester?
You can request a quote for Ethaneperoxoic acid, 1-cyano-1-phenylpentyl 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-phenylpentyl ester?
Yes, KEHONG BIO provides custom synthesis services for Ethaneperoxoic acid, 1-cyano-1-phenylpentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.