Tetraethyl squarate
TL;DR: Tetraethyl squarate (CAS 121496-65-9) is a chemical compound with molecular formula C24H30N2O4 and molecular weight 410.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(diethylamino)-2-hydroxyphenyl]-4-[4-(diethylamino)-3-hydroxyphenyl]cyclobutane-1,3-dione
Also Known As: Tetraethyl squarate, 1,3-Bis(4-diethylamino-2-hydroxyphenyl)-2,4-dihydroxycyclobutenediylium, 2-[4-(diethylamino)-2-hydroxyphenyl]-4-[4-(diethylamino)-3-hydroxyphenyl]cyclobutane-1,3-dione, 1,3-Cyclobutanedione, 2-(4-(diethylamino)-2-hydroxyphenyl)-4-(4-(diethylamino)-3-hydroxyphenyl)-, RefChem:188558
| Molecular Formula | C24H30N2O4 |
|---|---|
| Molecular Weight | 410.22 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 410.22055 |
| Heavy Atoms | 30 |
| Complexity | 588.0 |
Chemical Identifiers
| CAS Number | 121496-65-9 |
|---|---|
| SMILES | CCN(CC)C1=CC(=C(C=C1)C2C(=O)C(C2=O)C3=CC(=C(C=C3)N(CC)CC)O)O |
| InChIKey | WQOCBXDIJFBKAH-UHFFFAOYSA-N |
Product Overview
Tetraethyl squarate (CAS 121496-65-9), with molecular formula C24H30N2O4 and molecular weight 410.22 g/mol. IUPAC: 2-[4-(diethylamino)-2-hydroxyphenyl]-4-[4-(diethylamino)-3-hydroxyphenyl]cyclobutane-1,3-dione.
Chemical Property Profile of Tetraethyl squarate
Property Insights of Tetraethyl squarate
The XLogP value of 4.3 indicates that Tetraethyl 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 Tetraethyl squarate. Following Lipinski's Rule of Five, Tetraethyl squarate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tetraethyl squarate?
The CAS number of Tetraethyl squarate is 121496-65-9.
What is the molecular formula of Tetraethyl squarate?
The molecular formula of Tetraethyl squarate is C24H30N2O4.
What is the molecular weight of Tetraethyl squarate?
The molecular weight of Tetraethyl squarate is 410.22 g/mol.
Where can I buy Tetraethyl squarate?
You can request a quote for Tetraethyl squarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetraethyl squarate?
Yes, KEHONG BIO provides custom synthesis services for Tetraethyl squarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.