Di-t-amylperoxypyromellitate
TL;DR: Di-t-amylperoxypyromellitate (CAS 77494-58-7) is a chemical compound with molecular formula C20H26O10 and molecular weight 426.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-bis(2-methylbutan-2-ylperoxycarbonyl)terephthalic acid
Also Known As: Di-t-amylperoxypyromellitate, 2,5-bis(2-methylbutan-2-ylperoxycarbonyl)terephthalic acid, 2,5-Bis{[(2-methylbutan-2-yl)peroxy]carbonyl}benzene-1,4-dicarboxylic acid
| Molecular Formula | C20H26O10 |
|---|---|
| Molecular Weight | 426.15 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 426.1526 |
| Heavy Atoms | 30 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 77494-58-7 |
|---|---|
| SMILES | CCC(C)(C)OOC(=O)C1=CC(=C(C=C1C(=O)O)C(=O)OOC(C)(C)CC)C(=O)O |
| InChIKey | YJTOFETZPVDRDI-UHFFFAOYSA-N |
Product Overview
Di-t-amylperoxypyromellitate (CAS 77494-58-7), with molecular formula C20H26O10 and molecular weight 426.15 g/mol. IUPAC: 2,5-bis(2-methylbutan-2-ylperoxycarbonyl)terephthalic acid.
Chemical Property Profile of Di-t-amylperoxypyromellitate
Property Insights of Di-t-amylperoxypyromellitate
The XLogP value of 3.8 indicates that Di-t-amylperoxypyromellitate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting Di-t-amylperoxypyromellitate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Di-t-amylperoxypyromellitate has 2 hydrogen bond donor(s) and 10 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 Di-t-amylperoxypyromellitate?
The CAS number of Di-t-amylperoxypyromellitate is 77494-58-7.
What is the molecular formula of Di-t-amylperoxypyromellitate?
The molecular formula of Di-t-amylperoxypyromellitate is C20H26O10.
What is the molecular weight of Di-t-amylperoxypyromellitate?
The molecular weight of Di-t-amylperoxypyromellitate is 426.15 g/mol.
Where can I buy Di-t-amylperoxypyromellitate?
You can request a quote for Di-t-amylperoxypyromellitate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-t-amylperoxypyromellitate?
Yes, KEHONG BIO provides custom synthesis services for Di-t-amylperoxypyromellitate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.