4-tert-Butylthiacalix(4)arene
TL;DR: 4-tert-Butylthiacalix(4)arene (CAS 1214748-35-2) is a chemical compound with molecular formula C40H48O4S4 and molecular weight 720.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,11,17,23-tetratert-butyl-2,8,14,20-tetrathiapentacyclo[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-dodecaene-25,26,27,28-tetrol
Also Known As: 4-tert-Butylthiacalix[4]arene, 4-t-Butylthiacalix[4]arene, Cobalt(II) ionophore IV, 4-tert-Butylthiacalix4arene, p-tert-Butylthiacalix[4]arene
| Molecular Formula | C40H48O4S4 |
|---|---|
| Molecular Weight | 720.24 g/mol |
| LogP | 12.6172 |
| Topological Polar Surface Area | 80.92 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 720.2435 |
| Heavy Atoms | 48 |
| Complexity | 1530.7087 |
Chemical Identifiers
| CAS Number | 1214748-35-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C(=C1)SC3=CC(=CC(=C3O)SC4=CC(=CC(=C4O)SC5=C(C(=CC(=C5)C(C)(C)C)S2)O)C(C)(C)C)C(C)(C)C)O |
Product Overview
4-tert-Butylthiacalix(4)arene (CAS 1214748-35-2), with molecular formula C40H48O4S4 and molecular weight 720.24 g/mol. IUPAC: 5,11,17,23-tetratert-butyl-2,8,14,20-tetrathiapentacyclo[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-dodecaene-25,26,27,28-tetrol.
Chemical Property Profile of 4-tert-Butylthiacalix(4)arene
Property Insights of 4-tert-Butylthiacalix(4)arene
The XLogP value of 12.6172 indicates that 4-tert-Butylthiacalix(4)arene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-tert-Butylthiacalix(4)arene. Following Lipinski's Rule of Five, 4-tert-Butylthiacalix(4)arene 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-Butylthiacalix(4)arene?
The CAS number of 4-tert-Butylthiacalix(4)arene is 1214748-35-2.
What is the molecular formula of 4-tert-Butylthiacalix(4)arene?
The molecular formula of 4-tert-Butylthiacalix(4)arene is C40H48O4S4.
What is the molecular weight of 4-tert-Butylthiacalix(4)arene?
The molecular weight of 4-tert-Butylthiacalix(4)arene is 720.24 g/mol.
Where can I buy 4-tert-Butylthiacalix(4)arene?
You can request a quote for 4-tert-Butylthiacalix(4)arene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-Butylthiacalix(4)arene?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butylthiacalix(4)arene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.