1-氰基-1-苯基辛基过氧乙酸酯
TL;DR: 1-氰基-1-苯基辛基过氧乙酸酯 (CAS 58422-91-6) is a chemical compound with molecular formula C17H23NO3 and molecular weight 289.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-氰基-1-苯基辛基过氧乙酸酯
(1-cyano-1-phenyloctyl) ethaneperoxoate
Also Known As: 1-Cyano-1-phenyloctyl ethaneperoxoate, Ethaneperoxoic acid, 1-cyano-1-phenyloctyl ester, (1-cyano-1-phenyloctyl) ethaneperoxoate, 1-Cyano-1-phenyloctyl ethaneperoxoate #, Peracetic acid 1-cyano-1-(phenyl)octyl ester
| Molecular Formula | C17H23NO3 |
|---|---|
| Molecular Weight | 289.17 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 289.1678 |
| Heavy Atoms | 21 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 58422-91-6 |
|---|---|
| SMILES | CCCCCCCC(C#N)(C1=CC=CC=C1)OOC(=O)C |
| InChIKey | MODFHBHOPFVVPW-UHFFFAOYSA-N |
Product Overview
1-氰基-1-苯基辛基过氧乙酸酯 (CAS 58422-91-6), with molecular formula C17H23NO3 and molecular weight 289.17 g/mol. IUPAC: (1-cyano-1-phenyloctyl) ethaneperoxoate.
Chemical Property Profile of 1-氰基-1-苯基辛基过氧乙酸酯
Property Insights of 1-氰基-1-苯基辛基过氧乙酸酯
The XLogP value of 4.9 indicates that 1-氰基-1-苯基辛基过氧乙酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, 1-氰基-1-苯基辛基过氧乙酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-氰基-1-苯基辛基过氧乙酸酯 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 1-氰基-1-苯基辛基过氧乙酸酯?
The CAS number of 1-氰基-1-苯基辛基过氧乙酸酯 is 58422-91-6.
What is the molecular formula of 1-氰基-1-苯基辛基过氧乙酸酯?
The molecular formula of 1-氰基-1-苯基辛基过氧乙酸酯 is C17H23NO3.
What is the molecular weight of 1-氰基-1-苯基辛基过氧乙酸酯?
The molecular weight of 1-氰基-1-苯基辛基过氧乙酸酯 is 289.17 g/mol.
Where can I buy 1-氰基-1-苯基辛基过氧乙酸酯?
You can request a quote for 1-氰基-1-苯基辛基过氧乙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-氰基-1-苯基辛基过氧乙酸酯?
Yes, KEHONG BIO provides custom synthesis services for 1-氰基-1-苯基辛基过氧乙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.