1,3-Cyclobutadiene-1,3-dicarboxylic acid, 2,4-bis(diethylamino)diethyl ester
TL;DR: 1,3-Cyclobutadiene-1,3-dicarboxylic acid, 2,4-bis(diethylamino)diethyl ester (CAS 20913-35-3) is a chemical compound with molecular formula C18H30N2O4 and molecular weight 338.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,4-bis(diethylamino)cyclobuta-1,3-diene-1,3-dicarboxylate
Also Known As: 1,3-Cyclobutadiene-1,3-dicarboxylic acid, 2,4-bis(diethylamino)diethyl ester, diethyl 2,4-bis(diethylamino)cyclobuta-1,3-diene-1,3-dicarboxylate, diethyl2,4-bis cyclobuta-1,3-diene-1,3-dicarboxylate, diethyl 2,4-bis(diethylamino)cyclobuta-1,3-diene-1,3-dicarbo, 2,4-Bis-diethylamino-cyclobutadien-1,3-dicarbonsaeure-diethylester
| Molecular Formula | C18H30N2O4 |
|---|---|
| Molecular Weight | 338.22 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 338.22055 |
| Heavy Atoms | 24 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 20913-35-3 |
|---|---|
| SMILES | CCN(CC)C1=C(C(=C1C(=O)OCC)N(CC)CC)C(=O)OCC |
| InChIKey | RHFCLUSXAFYMQB-UHFFFAOYSA-N |
Product Overview
1,3-Cyclobutadiene-1,3-dicarboxylic acid, 2,4-bis(diethylamino)diethyl ester (CAS 20913-35-3), with molecular formula C18H30N2O4 and molecular weight 338.22 g/mol. IUPAC: diethyl 2,4-bis(diethylamino)cyclobuta-1,3-diene-1,3-dicarboxylate.
Chemical Property Profile of 1,3-Cyclobutadiene-1,3-dicarboxylic acid, 2,4-bis(diethylamino)diethyl ester
Property Insights of 1,3-Cyclobutadiene-1,3-dicarboxylic acid, 2,4-bis(diethylamino)diethyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Cyclobutadiene-1,3-dicarboxylic acid, 2,4-bis(diethylamino)diethyl ester. With a topological polar surface area (TPSA) of 59.1 Ų, 1,3-Cyclobutadiene-1,3-dicarboxylic acid, 2,4-bis(diethylamino)diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Cyclobutadiene-1,3-dicarboxylic acid, 2,4-bis(diethylamino)diethyl ester has 0 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 1,3-Cyclobutadiene-1,3-dicarboxylic acid, 2,4-bis(diethylamino)diethyl ester?
The CAS number of 1,3-Cyclobutadiene-1,3-dicarboxylic acid, 2,4-bis(diethylamino)diethyl ester is 20913-35-3.
What is the molecular formula of 1,3-Cyclobutadiene-1,3-dicarboxylic acid, 2,4-bis(diethylamino)diethyl ester?
The molecular formula of 1,3-Cyclobutadiene-1,3-dicarboxylic acid, 2,4-bis(diethylamino)diethyl ester is C18H30N2O4.
What is the molecular weight of 1,3-Cyclobutadiene-1,3-dicarboxylic acid, 2,4-bis(diethylamino)diethyl ester?
The molecular weight of 1,3-Cyclobutadiene-1,3-dicarboxylic acid, 2,4-bis(diethylamino)diethyl ester is 338.22 g/mol.
Where can I buy 1,3-Cyclobutadiene-1,3-dicarboxylic acid, 2,4-bis(diethylamino)diethyl ester?
You can request a quote for 1,3-Cyclobutadiene-1,3-dicarboxylic acid, 2,4-bis(diethylamino)diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Cyclobutadiene-1,3-dicarboxylic acid, 2,4-bis(diethylamino)diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Cyclobutadiene-1,3-dicarboxylic acid, 2,4-bis(diethylamino)diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.