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Diethyl [2,2'-bipyridine]-3,3'-dicarboxylate
TL;DR: Diethyl [2,2'-bipyridine]-3,3'-dicarboxylate (CAS 1762-46-5) is a chemical compound with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate
Also Known As: Diethyl [2,2'-bipyridine]-3,3'-dicarboxylate, Diethyl-2,2'-bipyridine-3,3'-dicarboxylate, diethyl [2,2-bipyridine]-3,3-dicarboxylate, diethyl 2,2'-bipyridine-3,3'-dicarboxylate, diethyl[2,2'-bipyridine]-3,3'-dicarboxylate
| Molecular Formula | C16H16N2O4 |
|---|---|
| Molecular Weight | 300.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 300.111 |
| Heavy Atoms | 22 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 1762-46-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=CC=C1)C2=C(C=CC=N2)C(=O)OCC |
| InChIKey | ARVRLHODKKEDGY-UHFFFAOYSA-N |
Product Overview
Diethyl [2,2'-bipyridine]-3,3'-dicarboxylate (CAS 1762-46-5), with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol. IUPAC: ethyl 2-(3-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate.
Chemical Property Profile of Diethyl [2,2'-bipyridine]-3,3'-dicarboxylate
Property Insights of Diethyl [2,2'-bipyridine]-3,3'-dicarboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl [2,2'-bipyridine]-3,3'-dicarboxylate. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl [2,2'-bipyridine]-3,3'-dicarboxylate. Following Lipinski's Rule of Five, Diethyl [2,2'-bipyridine]-3,3'-dicarboxylate 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 Diethyl [2,2'-bipyridine]-3,3'-dicarboxylate?
The CAS number of Diethyl [2,2'-bipyridine]-3,3'-dicarboxylate is 1762-46-5.
What is the molecular formula of Diethyl [2,2'-bipyridine]-3,3'-dicarboxylate?
The molecular formula of Diethyl [2,2'-bipyridine]-3,3'-dicarboxylate is C16H16N2O4.
What is the molecular weight of Diethyl [2,2'-bipyridine]-3,3'-dicarboxylate?
The molecular weight of Diethyl [2,2'-bipyridine]-3,3'-dicarboxylate is 300.11 g/mol.
Where can I buy Diethyl [2,2'-bipyridine]-3,3'-dicarboxylate?
You can request a quote for Diethyl [2,2'-bipyridine]-3,3'-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl [2,2'-bipyridine]-3,3'-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl [2,2'-bipyridine]-3,3'-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.