4-TERT-BUTYLCALIX[4!ARENE TETRAACETIC ACID
TL;DR: 4-TERT-BUTYLCALIX[4!ARENE TETRAACETIC ACID (CAS 113215-72-8) is a chemical compound with molecular formula C52H64O12 and molecular weight 880.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5,11,17,23-tetratert-butyl-26,27,28-tris(carboxymethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetic acid
Also Known As: 4-TERT-BUTYLCALIX[4!ARENE TETRAACETIC ACID, 4-tert-Butylcalix[4]arene tetraacetic acid, Tetrakis(carboxymethyl)-p-tert-butylcalix[4]arene, F1170-0402, 2-[[5,11,17,23-tetratert-butyl-26,27,28-tris(carboxymethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetic acid
| Molecular Formula | C52H64O12 |
|---|---|
| Molecular Weight | 880.44 g/mol |
| LogP | 9.4068 |
| Topological Polar Surface Area | 186.12 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 880.43976 |
| Heavy Atoms | 64 |
| Complexity | 2013.9053 |
Chemical Identifiers
| CAS Number | 113215-72-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3OCC(=O)O)CC4=CC(=CC(=C4OCC(=O)O)CC5=C(C(=CC(=C5)C(C)(C)C)C2)OCC(=O)O)C(C)(C)C)C(C)(C)C)OCC(=O)O |
Product Overview
4-TERT-BUTYLCALIX[4!ARENE TETRAACETIC ACID (CAS 113215-72-8), with molecular formula C52H64O12 and molecular weight 880.44 g/mol. IUPAC: 2-[[5,11,17,23-tetratert-butyl-26,27,28-tris(carboxymethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetic acid.
Chemical Property Profile of 4-TERT-BUTYLCALIX[4!ARENE TETRAACETIC ACID
Property Insights of 4-TERT-BUTYLCALIX[4!ARENE TETRAACETIC ACID
The XLogP value of 9.4068 indicates that 4-TERT-BUTYLCALIX[4!ARENE TETRAACETIC ACID is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 186.12 Ų indicates high polarity, suggesting 4-TERT-BUTYLCALIX[4!ARENE TETRAACETIC ACID may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-TERT-BUTYLCALIX[4!ARENE TETRAACETIC ACID has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-TERT-BUTYLCALIX[4!ARENE TETRAACETIC ACID?
The CAS number of 4-TERT-BUTYLCALIX[4!ARENE TETRAACETIC ACID is 113215-72-8.
What is the molecular formula of 4-TERT-BUTYLCALIX[4!ARENE TETRAACETIC ACID?
The molecular formula of 4-TERT-BUTYLCALIX[4!ARENE TETRAACETIC ACID is C52H64O12.
What is the molecular weight of 4-TERT-BUTYLCALIX[4!ARENE TETRAACETIC ACID?
The molecular weight of 4-TERT-BUTYLCALIX[4!ARENE TETRAACETIC ACID is 880.44 g/mol.
Where can I buy 4-TERT-BUTYLCALIX[4!ARENE TETRAACETIC ACID?
You can request a quote for 4-TERT-BUTYLCALIX[4!ARENE TETRAACETIC ACID directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-TERT-BUTYLCALIX[4!ARENE TETRAACETIC ACID?
Yes, KEHONG BIO provides custom synthesis services for 4-TERT-BUTYLCALIX[4!ARENE TETRAACETIC ACID and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.