3,5-Diethyl 4-(2-benzothiazolyl)-1,4-dihydro-3,5-pyridinedicarboxylate
TL;DR: 3,5-Diethyl 4-(2-benzothiazolyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS 439092-53-2) is a chemical compound with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-(1,3-benzothiazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: diethyl 4-(1,3-benzothiazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate, 3,5-Diethyl 4-(2-benzothiazolyl)-1,4-dihydro-3,5-pyridinedicarboxylate, 3,5-Pyridinedicarboxylic acid, 4-(2-benzothiazolyl)-1,4-dihydro-, 3,5-diethyl ester, Diethyl 4-(1,3-benzothiazol-2-yl)-1,4-dihydro-3,5-pyridinedi, DIETHYL 4-(1,3-BENZOTHIAZOL-2-YL)-1,4-DIHYDRO-3,5-PYRIDINEDICARBOXYLATE
| Molecular Formula | C18H18N2O4S |
|---|---|
| Molecular Weight | 358.10 g/mol |
| LogP | 2.8771 |
| Topological Polar Surface Area | 77.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.09872 |
| Heavy Atoms | 25 |
| Complexity | 801.83813 |
Chemical Identifiers
| CAS Number | 439092-53-2 |
|---|---|
| SMILES | CCOC(=O)C1=CNC=C(C1C2=NC3=CC=CC=C3S2)C(=O)OCC |
Product Overview
3,5-Diethyl 4-(2-benzothiazolyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS 439092-53-2), with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol. IUPAC: diethyl 4-(1,3-benzothiazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of 3,5-Diethyl 4-(2-benzothiazolyl)-1,4-dihydro-3,5-pyridinedicarboxylate
Property Insights of 3,5-Diethyl 4-(2-benzothiazolyl)-1,4-dihydro-3,5-pyridinedicarboxylate
The XLogP value of 2.8771 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Diethyl 4-(2-benzothiazolyl)-1,4-dihydro-3,5-pyridinedicarboxylate. The TPSA of 77.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Diethyl 4-(2-benzothiazolyl)-1,4-dihydro-3,5-pyridinedicarboxylate. Following Lipinski's Rule of Five, 3,5-Diethyl 4-(2-benzothiazolyl)-1,4-dihydro-3,5-pyridinedicarboxylate has 1 hydrogen bond donor(s) and 7 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 3,5-Diethyl 4-(2-benzothiazolyl)-1,4-dihydro-3,5-pyridinedicarboxylate?
The CAS number of 3,5-Diethyl 4-(2-benzothiazolyl)-1,4-dihydro-3,5-pyridinedicarboxylate is 439092-53-2.
What is the molecular formula of 3,5-Diethyl 4-(2-benzothiazolyl)-1,4-dihydro-3,5-pyridinedicarboxylate?
The molecular formula of 3,5-Diethyl 4-(2-benzothiazolyl)-1,4-dihydro-3,5-pyridinedicarboxylate is C18H18N2O4S.
What is the molecular weight of 3,5-Diethyl 4-(2-benzothiazolyl)-1,4-dihydro-3,5-pyridinedicarboxylate?
The molecular weight of 3,5-Diethyl 4-(2-benzothiazolyl)-1,4-dihydro-3,5-pyridinedicarboxylate is 358.10 g/mol.
Where can I buy 3,5-Diethyl 4-(2-benzothiazolyl)-1,4-dihydro-3,5-pyridinedicarboxylate?
You can request a quote for 3,5-Diethyl 4-(2-benzothiazolyl)-1,4-dihydro-3,5-pyridinedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Diethyl 4-(2-benzothiazolyl)-1,4-dihydro-3,5-pyridinedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Diethyl 4-(2-benzothiazolyl)-1,4-dihydro-3,5-pyridinedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.