Dimethyl 2-(pyridine-3-carbonylamino)benzene-1,4-dicarboxylate
TL;DR: Dimethyl 2-(pyridine-3-carbonylamino)benzene-1,4-dicarboxylate (CAS 330466-49-4) is a chemical compound with molecular formula C16H14N2O5 and molecular weight 314.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(pyridine-3-carbonylamino)benzene-1,4-dicarboxylate
Also Known As: BAS 00624544, 2-[(Pyridine-3-carbonyl)-amino]-terephthalic acid dimethyl ester, dimethyl 2-(pyridine-3-carbonylamino)benzene-1,4-dicarboxylate, 1,4-DIMETHYL 2-(PYRIDINE-3-AMIDO)BENZENE-1,4-DICARBOXYLATE, dimethyl 2-[(pyridin-3-ylcarbonyl)amino]benzene-1,4-dicarboxylate
| Molecular Formula | C16H14N2O5 |
|---|---|
| Molecular Weight | 314.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.09027 |
| Heavy Atoms | 23 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 330466-49-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2=CN=CC=C2 |
| InChIKey | ZWEWHEDCQZQSJJ-UHFFFAOYSA-N |
Product Overview
Dimethyl 2-(pyridine-3-carbonylamino)benzene-1,4-dicarboxylate (CAS 330466-49-4), with molecular formula C16H14N2O5 and molecular weight 314.09 g/mol. IUPAC: dimethyl 2-(pyridine-3-carbonylamino)benzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-(pyridine-3-carbonylamino)benzene-1,4-dicarboxylate
Property Insights of Dimethyl 2-(pyridine-3-carbonylamino)benzene-1,4-dicarboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-(pyridine-3-carbonylamino)benzene-1,4-dicarboxylate. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-(pyridine-3-carbonylamino)benzene-1,4-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 2-(pyridine-3-carbonylamino)benzene-1,4-dicarboxylate has 1 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 Dimethyl 2-(pyridine-3-carbonylamino)benzene-1,4-dicarboxylate?
The CAS number of Dimethyl 2-(pyridine-3-carbonylamino)benzene-1,4-dicarboxylate is 330466-49-4.
What is the molecular formula of Dimethyl 2-(pyridine-3-carbonylamino)benzene-1,4-dicarboxylate?
The molecular formula of Dimethyl 2-(pyridine-3-carbonylamino)benzene-1,4-dicarboxylate is C16H14N2O5.
What is the molecular weight of Dimethyl 2-(pyridine-3-carbonylamino)benzene-1,4-dicarboxylate?
The molecular weight of Dimethyl 2-(pyridine-3-carbonylamino)benzene-1,4-dicarboxylate is 314.09 g/mol.
Where can I buy Dimethyl 2-(pyridine-3-carbonylamino)benzene-1,4-dicarboxylate?
You can request a quote for Dimethyl 2-(pyridine-3-carbonylamino)benzene-1,4-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-(pyridine-3-carbonylamino)benzene-1,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(pyridine-3-carbonylamino)benzene-1,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.