Dimethyl pyridine-2,6-carboxylate
TL;DR: Dimethyl pyridine-2,6-carboxylate (CAS 5453-67-8) is a chemical compound with molecular formula C9H9NO4 and molecular weight 195.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl pyridine-2,6-dicarboxylate
Also Known As: dimethyl pyridine-2,6-dicarboxylate, Dimethyl 2,6-pyridinedicarboxylate, Dimethyl Dipicolinate, 2, dimethyl ester, 3-Hydroxybenzylamine
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 5453-67-8 |
|---|---|
| SMILES | COC(=O)C1=NC(=CC=C1)C(=O)OC |
| InChIKey | SNQQJEJPJMXYTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl pyridine-2,6-carboxylate (CAS 5453-67-8), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: dimethyl pyridine-2,6-dicarboxylate.
Chemical Property Profile of Dimethyl pyridine-2,6-carboxylate
Property Insights of Dimethyl pyridine-2,6-carboxylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl pyridine-2,6-carboxylate. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl pyridine-2,6-carboxylate. Following Lipinski's Rule of Five, Dimethyl pyridine-2,6-carboxylate 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 Dimethyl pyridine-2,6-carboxylate?
The CAS number of Dimethyl pyridine-2,6-carboxylate is 5453-67-8.
What is the molecular formula of Dimethyl pyridine-2,6-carboxylate?
The molecular formula of Dimethyl pyridine-2,6-carboxylate is C9H9NO4.
What is the molecular weight of Dimethyl pyridine-2,6-carboxylate?
The molecular weight of Dimethyl pyridine-2,6-carboxylate is 195.05 g/mol.
Where can I buy Dimethyl pyridine-2,6-carboxylate?
You can request a quote for Dimethyl pyridine-2,6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl pyridine-2,6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl pyridine-2,6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.