Dimethyl 3,4-pyridinedicarboxylate
TL;DR: Dimethyl 3,4-pyridinedicarboxylate (CAS 1796-83-4) 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-3,4-dicarboxylate
Also Known As: dimethyl pyridine-3,4-dicarboxylate, Dimethyl 3,4-pyridinedicarboxylate, Cinchomeronic acid, dimethyl ester, 3,4-dimethyl pyridine-3,4-dicarboxylate, 3,4-Pyridinedicarboxylic acid, 3,4-dimethyl ester
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 0.6 |
| 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 | 229.0 |
Chemical Identifiers
| CAS Number | 1796-83-4 |
|---|---|
| SMILES | COC(=O)C1=C(C=NC=C1)C(=O)OC |
| InChIKey | AUQUSBAFIHOGHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 3,4-pyridinedicarboxylate (CAS 1796-83-4), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: dimethyl pyridine-3,4-dicarboxylate.
Chemical Property Profile of Dimethyl 3,4-pyridinedicarboxylate
Property Insights of Dimethyl 3,4-pyridinedicarboxylate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 3,4-pyridinedicarboxylate. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 3,4-pyridinedicarboxylate. Following Lipinski's Rule of Five, Dimethyl 3,4-pyridinedicarboxylate 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 3,4-pyridinedicarboxylate?
The CAS number of Dimethyl 3,4-pyridinedicarboxylate is 1796-83-4.
What is the molecular formula of Dimethyl 3,4-pyridinedicarboxylate?
The molecular formula of Dimethyl 3,4-pyridinedicarboxylate is C9H9NO4.
What is the molecular weight of Dimethyl 3,4-pyridinedicarboxylate?
The molecular weight of Dimethyl 3,4-pyridinedicarboxylate is 195.05 g/mol.
Where can I buy Dimethyl 3,4-pyridinedicarboxylate?
You can request a quote for Dimethyl 3,4-pyridinedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 3,4-pyridinedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3,4-pyridinedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.