3-Pyridinecarboxylic acid, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl)ester
TL;DR: 3-Pyridinecarboxylic acid, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl)ester (CAS 81456-58-8) is a chemical compound with molecular formula C31H18N2O8 and molecular weight 546.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-4-[[2-oxo-3-(pyridine-3-carbonyloxy)chromen-4-yl]methyl]chromen-3-yl] pyridine-3-carboxylate
Also Known As: 3-Pyridinecarboxylic acid, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl)ester, Methylenebis(2-oxo-2H-1-benzopyran-4,3-diyl) dipyridine-3-carboxylate, [2-oxo-4-[[2-oxo-3-(pyridine-3-carbonyloxy)chromen-4-yl]methyl]chromen-3-yl] pyridine-3-carboxylate
| Molecular Formula | C31H18N2O8 |
|---|---|
| Molecular Weight | 546.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 546.1063 |
| Heavy Atoms | 41 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 81456-58-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(C(=O)O2)OC(=O)C3=CN=CC=C3)CC4=C(C(=O)OC5=CC=CC=C54)OC(=O)C6=CN=CC=C6 |
| InChIKey | HSGBMKIFBXLRIL-UHFFFAOYSA-N |
Product Overview
3-Pyridinecarboxylic acid, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl)ester (CAS 81456-58-8), with molecular formula C31H18N2O8 and molecular weight 546.11 g/mol. IUPAC: [2-oxo-4-[[2-oxo-3-(pyridine-3-carbonyloxy)chromen-4-yl]methyl]chromen-3-yl] pyridine-3-carboxylate.
Chemical Property Profile of 3-Pyridinecarboxylic acid, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl)ester
Property Insights of 3-Pyridinecarboxylic acid, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl)ester
The XLogP value of 4.0 indicates that 3-Pyridinecarboxylic acid, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl)ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinecarboxylic acid, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl)ester. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl)ester has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Pyridinecarboxylic acid, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl)ester?
The CAS number of 3-Pyridinecarboxylic acid, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl)ester is 81456-58-8.
What is the molecular formula of 3-Pyridinecarboxylic acid, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl)ester?
The molecular formula of 3-Pyridinecarboxylic acid, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl)ester is C31H18N2O8.
What is the molecular weight of 3-Pyridinecarboxylic acid, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl)ester?
The molecular weight of 3-Pyridinecarboxylic acid, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl)ester is 546.11 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl)ester?
You can request a quote for 3-Pyridinecarboxylic acid, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl)ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarboxylic acid, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl)ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, methylenebis(2-oxo-2H-1-benzopyran-3,4-diyl)ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.