Ethane-1,2-diyl bis(pyridine-3-carboxylate)
TL;DR: Ethane-1,2-diyl bis(pyridine-3-carboxylate) (CAS 3612-79-1) is a chemical compound with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(pyridine-3-carbonyloxy)ethyl pyridine-3-carboxylate
Also Known As: Ethylene glycol dinicotinate, Nicorandil Impurity 55, Nicorandil Impurity 68, NICOTINIC ACID, ETHYLENE ESTER, NCIOpen2_003666
| Molecular Formula | C14H12N2O4 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 272.0797 |
| Heavy Atoms | 20 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 3612-79-1 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)OCCOC(=O)C2=CN=CC=C2 |
| InChIKey | LNACTWXLKXAXJI-UHFFFAOYSA-N |
Product Overview
Ethane-1,2-diyl bis(pyridine-3-carboxylate) (CAS 3612-79-1), with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol. IUPAC: 2-(pyridine-3-carbonyloxy)ethyl pyridine-3-carboxylate.
Chemical Property Profile of Ethane-1,2-diyl bis(pyridine-3-carboxylate)
Property Insights of Ethane-1,2-diyl bis(pyridine-3-carboxylate)
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethane-1,2-diyl bis(pyridine-3-carboxylate). The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethane-1,2-diyl bis(pyridine-3-carboxylate). Following Lipinski's Rule of Five, Ethane-1,2-diyl bis(pyridine-3-carboxylate) has 0 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 Ethane-1,2-diyl bis(pyridine-3-carboxylate)?
The CAS number of Ethane-1,2-diyl bis(pyridine-3-carboxylate) is 3612-79-1.
What is the molecular formula of Ethane-1,2-diyl bis(pyridine-3-carboxylate)?
The molecular formula of Ethane-1,2-diyl bis(pyridine-3-carboxylate) is C14H12N2O4.
What is the molecular weight of Ethane-1,2-diyl bis(pyridine-3-carboxylate)?
The molecular weight of Ethane-1,2-diyl bis(pyridine-3-carboxylate) is 272.08 g/mol.
Where can I buy Ethane-1,2-diyl bis(pyridine-3-carboxylate)?
You can request a quote for Ethane-1,2-diyl bis(pyridine-3-carboxylate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethane-1,2-diyl bis(pyridine-3-carboxylate)?
Yes, KEHONG BIO provides custom synthesis services for Ethane-1,2-diyl bis(pyridine-3-carboxylate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.