Cyclohexanecarboperoxoic acid, 1,1,3,3-tetramethylbutyl ester
TL;DR: Cyclohexanecarboperoxoic acid, 1,1,3,3-tetramethylbutyl ester (CAS 55446-21-4) is a chemical compound with molecular formula C15H28O3 and molecular weight 256.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,4-trimethylpentan-2-yl cyclohexanecarboperoxoate
Also Known As: Cyclohexanecarboperoxoic acid, 1,1,3,3-tetramethylbutyl ester, 2,4,4-trimethylpentan-2-yl cyclohexanecarboperoxoate, Cyclohexane peroxycarboxlic acid, 1,1,3,3-tetramethyl butyl ester, 9,10-bis-biphenyl-2-yl-9,10-dihydro-anthracene-9,10-diol, Cyclohexaneperoxycarboxylic acid 1,1,3,3-tetramethylbutyl ester
| Molecular Formula | C15H28O3 |
|---|---|
| Molecular Weight | 256.20 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 256.20386 |
| Heavy Atoms | 18 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 55446-21-4 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)OOC(=O)C1CCCCC1 |
| InChIKey | LFXXYNMRCVBMSC-UHFFFAOYSA-N |
Product Overview
Cyclohexanecarboperoxoic acid, 1,1,3,3-tetramethylbutyl ester (CAS 55446-21-4), with molecular formula C15H28O3 and molecular weight 256.20 g/mol. IUPAC: 2,4,4-trimethylpentan-2-yl cyclohexanecarboperoxoate.
Chemical Property Profile of Cyclohexanecarboperoxoic acid, 1,1,3,3-tetramethylbutyl ester
Property Insights of Cyclohexanecarboperoxoic acid, 1,1,3,3-tetramethylbutyl ester
The XLogP value of 4.9 indicates that Cyclohexanecarboperoxoic 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 35.5 Ų, Cyclohexanecarboperoxoic acid, 1,1,3,3-tetramethylbutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanecarboperoxoic acid, 1,1,3,3-tetramethylbutyl ester has 0 hydrogen bond donor(s) and 3 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 Cyclohexanecarboperoxoic acid, 1,1,3,3-tetramethylbutyl ester?
The CAS number of Cyclohexanecarboperoxoic acid, 1,1,3,3-tetramethylbutyl ester is 55446-21-4.
What is the molecular formula of Cyclohexanecarboperoxoic acid, 1,1,3,3-tetramethylbutyl ester?
The molecular formula of Cyclohexanecarboperoxoic acid, 1,1,3,3-tetramethylbutyl ester is C15H28O3.
What is the molecular weight of Cyclohexanecarboperoxoic acid, 1,1,3,3-tetramethylbutyl ester?
The molecular weight of Cyclohexanecarboperoxoic acid, 1,1,3,3-tetramethylbutyl ester is 256.20 g/mol.
Where can I buy Cyclohexanecarboperoxoic acid, 1,1,3,3-tetramethylbutyl ester?
You can request a quote for Cyclohexanecarboperoxoic 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 Cyclohexanecarboperoxoic acid, 1,1,3,3-tetramethylbutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanecarboperoxoic acid, 1,1,3,3-tetramethylbutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.