3,5-吡啶二甲酸-3,5-二乙酯
TL;DR: 3,5-吡啶二甲酸-3,5-二乙酯 (CAS 4591-56-4) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-吡啶二甲酸-3,5-二乙酯
diethyl pyridine-3,5-dicarboxylate
Also Known As: Diethyl pyridine-3,5-dicarboxylate, diethyl 3,5-pyridinedicarboxylate, Maybridge3_003224, 3,5-diethoxycarbonyl pyridine, 2-(Allyloxy)-1-naphthaldehyde
| Molecular Formula | C11H13NO4 |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 223.08446 |
| Heavy Atoms | 16 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 4591-56-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CN=C1)C(=O)OCC |
| InChIKey | PGGQCHVPWSXPSI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-吡啶二甲酸-3,5-二乙酯 (CAS 4591-56-4), with molecular formula C11H13NO4 and molecular weight 223.08 g/mol. IUPAC: diethyl pyridine-3,5-dicarboxylate.
Chemical Property Profile of 3,5-吡啶二甲酸-3,5-二乙酯
Property Insights of 3,5-吡啶二甲酸-3,5-二乙酯
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-吡啶二甲酸-3,5-二乙酯. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-吡啶二甲酸-3,5-二乙酯. Following Lipinski's Rule of Five, 3,5-吡啶二甲酸-3,5-二乙酯 has 0 hydrogen bond donor(s) and 5 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-吡啶二甲酸-3,5-二乙酯?
The CAS number of 3,5-吡啶二甲酸-3,5-二乙酯 is 4591-56-4.
What is the molecular formula of 3,5-吡啶二甲酸-3,5-二乙酯?
The molecular formula of 3,5-吡啶二甲酸-3,5-二乙酯 is C11H13NO4.
What is the molecular weight of 3,5-吡啶二甲酸-3,5-二乙酯?
The molecular weight of 3,5-吡啶二甲酸-3,5-二乙酯 is 223.08 g/mol.
Where can I buy 3,5-吡啶二甲酸-3,5-二乙酯?
You can request a quote for 3,5-吡啶二甲酸-3,5-二乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-吡啶二甲酸-3,5-二乙酯?
Yes, KEHONG BIO provides custom synthesis services for 3,5-吡啶二甲酸-3,5-二乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.