Ethaneperoxoic acid, 1-cyano-1,4,8-trimethyl-7-nonenyl ester
TL;DR: Ethaneperoxoic acid, 1-cyano-1,4,8-trimethyl-7-nonenyl ester (CAS 58422-65-4) is a chemical compound with molecular formula C15H25NO3 and molecular weight 267.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-cyano-5,9-dimethyldec-8-en-2-yl) ethaneperoxoate
Also Known As: Ethaneperoxoic acid, 1-cyano-1,4,8-trimethyl-7-nonenyl ester, 1-Cyano-1,4,8-trimethyl-7-nonenyl ethaneperoxoate, Peraceticacid1-cyano-1,4,8-trimethyl-7-nonenylester, (2-cyano-5,9-dimethyldec-8-en-2-yl) ethaneperoxoate, 2-Cyano-5,9-dimethyldec-8-en-2-yl ethaneperoxoate
| Molecular Formula | C15H25NO3 |
|---|---|
| Molecular Weight | 267.18 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 267.18344 |
| Heavy Atoms | 19 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 58422-65-4 |
|---|---|
| SMILES | CC(CCC=C(C)C)CCC(C)(C#N)OOC(=O)C |
| InChIKey | ABAXVBILAWJXMT-UHFFFAOYSA-N |
Product Overview
Ethaneperoxoic acid, 1-cyano-1,4,8-trimethyl-7-nonenyl ester (CAS 58422-65-4), with molecular formula C15H25NO3 and molecular weight 267.18 g/mol. IUPAC: (2-cyano-5,9-dimethyldec-8-en-2-yl) ethaneperoxoate.
Chemical Property Profile of Ethaneperoxoic acid, 1-cyano-1,4,8-trimethyl-7-nonenyl ester
Property Insights of Ethaneperoxoic acid, 1-cyano-1,4,8-trimethyl-7-nonenyl ester
The XLogP value of 4.2 indicates that Ethaneperoxoic acid, 1-cyano-1,4,8-trimethyl-7-nonenyl 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-1,4,8-trimethyl-7-nonenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethaneperoxoic acid, 1-cyano-1,4,8-trimethyl-7-nonenyl 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-1,4,8-trimethyl-7-nonenyl ester?
The CAS number of Ethaneperoxoic acid, 1-cyano-1,4,8-trimethyl-7-nonenyl ester is 58422-65-4.
What is the molecular formula of Ethaneperoxoic acid, 1-cyano-1,4,8-trimethyl-7-nonenyl ester?
The molecular formula of Ethaneperoxoic acid, 1-cyano-1,4,8-trimethyl-7-nonenyl ester is C15H25NO3.
What is the molecular weight of Ethaneperoxoic acid, 1-cyano-1,4,8-trimethyl-7-nonenyl ester?
The molecular weight of Ethaneperoxoic acid, 1-cyano-1,4,8-trimethyl-7-nonenyl ester is 267.18 g/mol.
Where can I buy Ethaneperoxoic acid, 1-cyano-1,4,8-trimethyl-7-nonenyl ester?
You can request a quote for Ethaneperoxoic acid, 1-cyano-1,4,8-trimethyl-7-nonenyl 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-1,4,8-trimethyl-7-nonenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Ethaneperoxoic acid, 1-cyano-1,4,8-trimethyl-7-nonenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.