Sodium ionophore X
TL;DR: Sodium ionophore X (CAS 97600-39-0) is a chemical compound with molecular formula C60H80O12 and molecular weight 992.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 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),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetate
Also Known As: Sodium ionophore X, 4-tert-Butylcalix[4]arene-tetraacetic acid tetraethyl ester, 4-tert-Butylcalix[4]arenetetraacetic acid tetraethyl ester, (4S)-(-)-4-Isopropyl-2-oxazolidinone, Tetraethyl 4-tert-Butylcalix[4]arene-O,O',O'',O'''-tetraacetate
| Molecular Formula | C60H80O12 |
|---|---|
| Molecular Weight | 992.57 g/mol |
| LogP | 11.3208 |
| Topological Polar Surface Area | 142.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Exact Mass | 992.565 |
| Heavy Atoms | 72 |
| Complexity | 2142.4497 |
Chemical Identifiers
| CAS Number | 97600-39-0 |
|---|---|
| SMILES | CCOC(=O)COC1=C2CC3=CC(=CC(=C3OCC(=O)OCC)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 |
Product Overview
Sodium ionophore X (CAS 97600-39-0), with molecular formula C60H80O12 and molecular weight 992.57 g/mol. IUPAC: ethyl 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),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetate.
Chemical Property Profile of Sodium ionophore X
Property Insights of Sodium ionophore X
The XLogP value of 11.3208 indicates that Sodium ionophore X is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.12 Ų indicates high polarity, suggesting Sodium ionophore X may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sodium ionophore X has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sodium ionophore X?
The CAS number of Sodium ionophore X is 97600-39-0.
What is the molecular formula of Sodium ionophore X?
The molecular formula of Sodium ionophore X is C60H80O12.
What is the molecular weight of Sodium ionophore X?
The molecular weight of Sodium ionophore X is 992.57 g/mol.
Where can I buy Sodium ionophore X?
You can request a quote for Sodium ionophore X directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium ionophore X?
Yes, KEHONG BIO provides custom synthesis services for Sodium ionophore X and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.