![Hexahomotrioxacalix[3]arene structure](/static/products/7654/76543-12-9.webp)
Hexahomotrioxacalix[3]arene
TL;DR: Hexahomotrioxacalix[3]arene (CAS 76543-12-9) is a chemical compound with molecular formula C36H48O6 and molecular weight 576.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,15,23-tritert-butyl-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol
Also Known As: Hexahomotrioxacalix[3]arene, tritert-butyl[?]triol, NCI60_036003, 7,15,23-tri-tert-butyl-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13(26),14,16,21,23-nonaene-25,26,27-triol, 2,6-[Oxybis[(2-hydroxy-5-tert-butyl-m-xylylene)oxymethylene]]-4-tert-butylphenol
| Molecular Formula | C36H48O6 |
|---|---|
| Molecular Weight | 576.35 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 88.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 576.3451 |
| Heavy Atoms | 42 |
| Complexity | 688.0 |
Chemical Identifiers
| CAS Number | 76543-12-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C(=C1)COCC3=CC(=CC(=C3O)COCC4=C(C(=CC(=C4)C(C)(C)C)COC2)O)C(C)(C)C)O |
| InChIKey | POMGZJQFTLTHSC-UHFFFAOYSA-N |
Product Overview
Hexahomotrioxacalix[3]arene (CAS 76543-12-9), with molecular formula C36H48O6 and molecular weight 576.35 g/mol. IUPAC: 7,15,23-tritert-butyl-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol.
Chemical Property Profile of Hexahomotrioxacalix[3]arene
Property Insights of Hexahomotrioxacalix[3]arene
The XLogP value of 7.4 indicates that Hexahomotrioxacalix[3]arene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexahomotrioxacalix[3]arene. Following Lipinski's Rule of Five, Hexahomotrioxacalix[3]arene has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexahomotrioxacalix[3]arene?
The CAS number of Hexahomotrioxacalix[3]arene is 76543-12-9.
What is the molecular formula of Hexahomotrioxacalix[3]arene?
The molecular formula of Hexahomotrioxacalix[3]arene is C36H48O6.
What is the molecular weight of Hexahomotrioxacalix[3]arene?
The molecular weight of Hexahomotrioxacalix[3]arene is 576.35 g/mol.
Where can I buy Hexahomotrioxacalix[3]arene?
You can request a quote for Hexahomotrioxacalix[3]arene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexahomotrioxacalix[3]arene?
Yes, KEHONG BIO provides custom synthesis services for Hexahomotrioxacalix[3]arene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.