Tetrabutyl squarate
TL;DR: Tetrabutyl squarate (CAS 121289-36-9) is a chemical compound with molecular formula C32H46N2O4 and molecular weight 522.34576 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-bis[4-(dibutylamino)-2-hydroxyphenyl]cyclobutane-1,3-dione
Also Known As: Tetrabutyl squarate, 2,4-bis[4-(dibutylamino)-2-hydroxyphenyl]cyclobutane-1,3-dione, J1.935.148C, 1,3-Bis(4-dibutylamino-2-hydroxyphenyl)-2,4-dihydroxycyclobutenediylium, 2,4-Bis(4-(dibutylamino)-2-hydroxyphenyl)-1,3-cyclobutanedione
Technical Specifications
| Molecular Formula | C32H46N2O4 |
| Molecular Weight | 522.34576 g/mol |
| XLogP | 7.8 |
| Topological Polar Surface Area (TPSA) | 81.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 522.34576 Da |
| Heavy Atoms | 38 |
| Complexity | 638.0 |
| SMILES | CCCCN(CCCC)C1=CC(=C(C=C1)C2C(=O)C(C2=O)C3=C(C=C(C=C3)N(CCCC)CCCC)O)O |
| InChIKey | GMDZOEQOTJOQIL-UHFFFAOYSA-N |
Chemical Property Profile of Tetrabutyl squarate
Property Insights of Tetrabutyl squarate
The XLogP value of 7.8 indicates that Tetrabutyl squarate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetrabutyl squarate. Following Lipinski's Rule of Five, Tetrabutyl squarate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Tetrabutyl squarate?
The CAS number of Tetrabutyl squarate is 121289-36-9.
What is the molecular formula of Tetrabutyl squarate?
The molecular formula of Tetrabutyl squarate is C32H46N2O4.
What is the molecular weight of Tetrabutyl squarate?
The molecular weight of Tetrabutyl squarate is 522.34576 g/mol.
Where can I buy Tetrabutyl squarate?
You can request a quote for Tetrabutyl squarate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tetrabutyl squarate?
Yes, CoreyChem provides custom synthesis services for Tetrabutyl squarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.