Neodecaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester
TL;DR: Neodecaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester (CAS 149270-29-1) is a chemical compound with molecular formula C18H34O4 and molecular weight 314.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,4-trimethylpentan-2-yl 3-(5,5-dimethylhexyl)dioxirane-3-carboxylate
Also Known As: EINECS 257-077-0, 1,1,3,3-Tetramethylbutyl peroxyneodecanoate, EC 257-077-0, Neodecaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester, 2,4,4-trimethylpentan-2-yl 3-(5,5-dimethylhexyl)dioxirane-3-carboxylate
| Molecular Formula | C18H34O4 |
|---|---|
| Molecular Weight | 314.25 g/mol |
| LogP | 5.009 |
| Topological Polar Surface Area | 51.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 314.2457 |
| Heavy Atoms | 22 |
| Complexity | 380.8718 |
Chemical Identifiers
| CAS Number | 149270-29-1 |
|---|---|
| SMILES | CC(C)(C)CCCCC1(OO1)C(=O)OC(C)(C)CC(C)(C)C |
Product Overview
Neodecaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester (CAS 149270-29-1), with molecular formula C18H34O4 and molecular weight 314.25 g/mol. IUPAC: 2,4,4-trimethylpentan-2-yl 3-(5,5-dimethylhexyl)dioxirane-3-carboxylate.
Chemical Property Profile of Neodecaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester
Property Insights of Neodecaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester
The XLogP value of 5.009 indicates that Neodecaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.36 Ų, Neodecaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neodecaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Neodecaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester?
The CAS number of Neodecaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester is 149270-29-1.
What is the molecular formula of Neodecaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester?
The molecular formula of Neodecaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester is C18H34O4.
What is the molecular weight of Neodecaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester?
The molecular weight of Neodecaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester is 314.25 g/mol.
Where can I buy Neodecaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester?
You can request a quote for Neodecaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neodecaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Neodecaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.