![4-tert-Butylcalix[4]arene-tetraacetic acid triethyl ester structure](/static/products/1367/136734-88-8.webp)
4-tert-Butylcalix[4]arene-tetraacetic acid triethyl ester
TL;DR: 4-tert-Butylcalix[4]arene-tetraacetic acid triethyl ester (CAS 136734-88-8) is a chemical compound with molecular formula C58H76O12 and molecular weight 964.5337 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[5,11,17,23-tetratert-butyl-26,27,28-tris(2-ethoxy-2-oxoethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaenyl]oxy]acetic acid
Also Known As: 4-tert-Butylcalix[4]arene-tetraacetic acid triethyl ester, 2-[[5,11,17,23-Tetratert-butyl-26,27,28-tris(2-ethoxy-2-oxoethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaenyl]oxy]acetic acid, [[26,27,28-Tris(2-ethoxy-2-oxoethoxy)-5,11,17,23-tetra-tert-butylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25-yl]oxy]acetic acid, 2-{[5,11,17,23-tetra-tert-butyl-26,27,28-tris(2-ethoxy-2-oxoethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen-25-yl]oxy}acetic acid, 25-(2-Hydroxy-2-oxoethoxy)-26,27,28-tris(2-ethoxy-2-oxoethoxy)-5,11,17,23-tetra-tert-butylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene
Technical Specifications
| Molecular Formula | C58H76O12 |
| Molecular Weight | 964.5337 g/mol |
| XLogP | 14.7 |
| Topological Polar Surface Area (TPSA) | 153.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 22 |
| Exact Mass | 964.5337 Da |
| Heavy Atoms | 70 |
| Complexity | 1600.0 |
| SMILES | CCOC(=O)COC1=C2CC3=CC(=CC(=C3OCC(=O)O)CC4=C(C(=CC(=C4)C(C)(C)C)CC5=C(C(=CC(=C5)C(C)(C)C)CC1=CC(=C2)C(C)(C)C)OCC(=O)OCC)OCC(=O)OCC)C(C)(C)C |
| InChIKey | PQTBXQCIEGVAHL-UHFFFAOYSA-N |
Chemical Property Profile of 4-tert-Butylcalix[4]arene-tetraacetic acid triethyl ester
Property Insights of 4-tert-Butylcalix[4]arene-tetraacetic acid triethyl ester
The XLogP value of 14.7 indicates that 4-tert-Butylcalix[4]arene-tetraacetic acid triethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.0 Ų indicates high polarity, suggesting 4-tert-Butylcalix[4]arene-tetraacetic acid triethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-tert-Butylcalix[4]arene-tetraacetic acid triethyl ester has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-tert-Butylcalix[4]arene-tetraacetic acid triethyl ester?
The CAS number of 4-tert-Butylcalix[4]arene-tetraacetic acid triethyl ester is 136734-88-8.
What is the molecular formula of 4-tert-Butylcalix[4]arene-tetraacetic acid triethyl ester?
The molecular formula of 4-tert-Butylcalix[4]arene-tetraacetic acid triethyl ester is C58H76O12.
What is the molecular weight of 4-tert-Butylcalix[4]arene-tetraacetic acid triethyl ester?
The molecular weight of 4-tert-Butylcalix[4]arene-tetraacetic acid triethyl ester is 964.5337 g/mol.
Where can I buy 4-tert-Butylcalix[4]arene-tetraacetic acid triethyl ester?
You can request a quote for 4-tert-Butylcalix[4]arene-tetraacetic acid triethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-tert-Butylcalix[4]arene-tetraacetic acid triethyl ester?
Yes, CoreyChem provides custom synthesis services for 4-tert-Butylcalix[4]arene-tetraacetic acid triethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.