dimethyl 2-pyridin-3-yl-1H-pyrrole-3,4-dicarboxylate
TL;DR: dimethyl 2-pyridin-3-yl-1H-pyrrole-3,4-dicarboxylate (CAS 319905-65-2) is a chemical compound with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-pyridin-3-yl-1H-pyrrole-3,4-dicarboxylate
Also Known As: J1.447.751I, Dimethyl 2-pyridin-3-yl-1H-pyrrole-3,4-dicarboxylate, 2-(3-Pyridyl)-1H-pyrrole-3,4-dicarboxylic acid dimethyl ester, 3,4-dimethyl 2-(pyridin-3-yl)-1H-pyrrole-3,4-dicarboxylate, 1H-Pyrrole-3,4-dicarboxylic acid, 2-(3-pyridinyl)-, dimethyl ester (9CI)
| Molecular Formula | C13H12N2O4 |
|---|---|
| Molecular Weight | 260.08 g/mol |
| LogP | 1.6499 |
| Topological Polar Surface Area | 81.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.0797 |
| Heavy Atoms | 19 |
| Complexity | 604.3607 |
Chemical Identifiers
| CAS Number | 319905-65-2 |
|---|---|
| SMILES | COC(=O)C1=CNC(=C1C(=O)OC)C2=CN=CC=C2 |
Product Overview
dimethyl 2-pyridin-3-yl-1H-pyrrole-3,4-dicarboxylate (CAS 319905-65-2), with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol. IUPAC: dimethyl 2-pyridin-3-yl-1H-pyrrole-3,4-dicarboxylate.
Chemical Property Profile of dimethyl 2-pyridin-3-yl-1H-pyrrole-3,4-dicarboxylate
Property Insights of dimethyl 2-pyridin-3-yl-1H-pyrrole-3,4-dicarboxylate
The XLogP value of 1.6499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 2-pyridin-3-yl-1H-pyrrole-3,4-dicarboxylate. The TPSA of 81.28 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 2-pyridin-3-yl-1H-pyrrole-3,4-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 2-pyridin-3-yl-1H-pyrrole-3,4-dicarboxylate has 1 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 2-pyridin-3-yl-1H-pyrrole-3,4-dicarboxylate?
The CAS number of dimethyl 2-pyridin-3-yl-1H-pyrrole-3,4-dicarboxylate is 319905-65-2.
What is the molecular formula of dimethyl 2-pyridin-3-yl-1H-pyrrole-3,4-dicarboxylate?
The molecular formula of dimethyl 2-pyridin-3-yl-1H-pyrrole-3,4-dicarboxylate is C13H12N2O4.
What is the molecular weight of dimethyl 2-pyridin-3-yl-1H-pyrrole-3,4-dicarboxylate?
The molecular weight of dimethyl 2-pyridin-3-yl-1H-pyrrole-3,4-dicarboxylate is 260.08 g/mol.
Where can I buy dimethyl 2-pyridin-3-yl-1H-pyrrole-3,4-dicarboxylate?
You can request a quote for dimethyl 2-pyridin-3-yl-1H-pyrrole-3,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 2-pyridin-3-yl-1H-pyrrole-3,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-pyridin-3-yl-1H-pyrrole-3,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.