Dimethyl 5-(pyridine-3-carbonylamino)benzene-1,3-dicarboxylate
TL;DR: Dimethyl 5-(pyridine-3-carbonylamino)benzene-1,3-dicarboxylate (CAS 346716-96-9) 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 5-(pyridine-3-carbonylamino)benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-(nicotinamido)isophthalate, UPCMLD0ENAT5742818:001, BAS 00624545, BIM-0019088.P001, dimethyl 5-(pyridine-3-carbonylamino)benzene-1,3-dicarboxylate
| Molecular Formula | C16H14N2O5 |
|---|---|
| Molecular Weight | 314.09 g/mol |
| LogP | 1.4 |
| 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 | 430.0 |
Chemical Identifiers
| CAS Number | 346716-96-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CN=CC=C2)C(=O)OC |
| InChIKey | YXLPXKCMLHKEHE-UHFFFAOYSA-N |
Product Overview
Dimethyl 5-(pyridine-3-carbonylamino)benzene-1,3-dicarboxylate (CAS 346716-96-9), with molecular formula C16H14N2O5 and molecular weight 314.09 g/mol. IUPAC: dimethyl 5-(pyridine-3-carbonylamino)benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-(pyridine-3-carbonylamino)benzene-1,3-dicarboxylate
Property Insights of Dimethyl 5-(pyridine-3-carbonylamino)benzene-1,3-dicarboxylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-(pyridine-3-carbonylamino)benzene-1,3-dicarboxylate. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-(pyridine-3-carbonylamino)benzene-1,3-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 5-(pyridine-3-carbonylamino)benzene-1,3-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 5-(pyridine-3-carbonylamino)benzene-1,3-dicarboxylate?
The CAS number of Dimethyl 5-(pyridine-3-carbonylamino)benzene-1,3-dicarboxylate is 346716-96-9.
What is the molecular formula of Dimethyl 5-(pyridine-3-carbonylamino)benzene-1,3-dicarboxylate?
The molecular formula of Dimethyl 5-(pyridine-3-carbonylamino)benzene-1,3-dicarboxylate is C16H14N2O5.
What is the molecular weight of Dimethyl 5-(pyridine-3-carbonylamino)benzene-1,3-dicarboxylate?
The molecular weight of Dimethyl 5-(pyridine-3-carbonylamino)benzene-1,3-dicarboxylate is 314.09 g/mol.
Where can I buy Dimethyl 5-(pyridine-3-carbonylamino)benzene-1,3-dicarboxylate?
You can request a quote for Dimethyl 5-(pyridine-3-carbonylamino)benzene-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-(pyridine-3-carbonylamino)benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-(pyridine-3-carbonylamino)benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.