Diethyl 2,5-diaminocyclohexa-1,4-diene-1,4-dicarboxylate
TL;DR: Diethyl 2,5-diaminocyclohexa-1,4-diene-1,4-dicarboxylate (CAS 17658-02-5) is a chemical compound with molecular formula C12H18N2O4 and molecular weight 254.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,5-diaminocyclohexa-1,4-diene-1,4-dicarboxylate
Also Known As: Maybridge1_001886, diethyl 2,5-diaminocyclohexa-1,4-diene-1,4-dicarboxylate, Diethyl 2,5-diamino-1,4-cyclohexadiene-1,4-dicarboxylate, 1,4-Cyclohexadiene-1,4-dicarboxylic acid, 2,5-diamino-, 1,4-diethyl ester, 2,5-Diamino-cyclohexa-1,4-dien-1,4-dicarbonsaeure-diaethylester
| Molecular Formula | C12H18N2O4 |
|---|---|
| Molecular Weight | 254.13 g/mol |
| LogP | 0.332 |
| Topological Polar Surface Area | 104.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.12666 |
| Heavy Atoms | 18 |
| Complexity | 383.79333 |
Chemical Identifiers
| CAS Number | 17658-02-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(CC(=C(C1)N)C(=O)OCC)N |
Product Overview
Diethyl 2,5-diaminocyclohexa-1,4-diene-1,4-dicarboxylate (CAS 17658-02-5), with molecular formula C12H18N2O4 and molecular weight 254.13 g/mol. IUPAC: diethyl 2,5-diaminocyclohexa-1,4-diene-1,4-dicarboxylate.
Chemical Property Profile of Diethyl 2,5-diaminocyclohexa-1,4-diene-1,4-dicarboxylate
Property Insights of Diethyl 2,5-diaminocyclohexa-1,4-diene-1,4-dicarboxylate
The XLogP value of 0.332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2,5-diaminocyclohexa-1,4-diene-1,4-dicarboxylate. The TPSA of 104.64 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2,5-diaminocyclohexa-1,4-diene-1,4-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 2,5-diaminocyclohexa-1,4-diene-1,4-dicarboxylate 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 Diethyl 2,5-diaminocyclohexa-1,4-diene-1,4-dicarboxylate?
The CAS number of Diethyl 2,5-diaminocyclohexa-1,4-diene-1,4-dicarboxylate is 17658-02-5.
What is the molecular formula of Diethyl 2,5-diaminocyclohexa-1,4-diene-1,4-dicarboxylate?
The molecular formula of Diethyl 2,5-diaminocyclohexa-1,4-diene-1,4-dicarboxylate is C12H18N2O4.
What is the molecular weight of Diethyl 2,5-diaminocyclohexa-1,4-diene-1,4-dicarboxylate?
The molecular weight of Diethyl 2,5-diaminocyclohexa-1,4-diene-1,4-dicarboxylate is 254.13 g/mol.
Where can I buy Diethyl 2,5-diaminocyclohexa-1,4-diene-1,4-dicarboxylate?
You can request a quote for Diethyl 2,5-diaminocyclohexa-1,4-diene-1,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,5-diaminocyclohexa-1,4-diene-1,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,5-diaminocyclohexa-1,4-diene-1,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.