Nicotinic acid, diester with 2,4'-dihydroxy-3'-methoxyacetophenone
TL;DR: Nicotinic acid, diester with 2,4'-dihydroxy-3'-methoxyacetophenone (CAS 54-83-1) is a chemical compound with molecular formula C21H16N2O6 and molecular weight 392.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[3-methoxy-4-(pyridine-3-carbonyloxy)phenyl]-2-oxoethyl] pyridine-3-carboxylate
Also Known As: alpha,4-Dinicotinoyloxy-3-methoxyacetophenone, 5-22-02-00070 (Beilstein Handbook Reference), Nicotinic acid, diester with 2,4'-dihydroxy-3'-methoxyacetophenone, 2-methoxy-4-{[(pyridin-3-ylcarbonyl)oxy]acetyl}phenyl pyridine-3-carboxylate, [2-[3-methoxy-4-(pyridine-3-carbonyloxy)phenyl]-2-oxoethyl] pyridine-3-carboxylate
| Molecular Formula | C21H16N2O6 |
|---|---|
| Molecular Weight | 392.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 392.10083 |
| Heavy Atoms | 29 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 54-83-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C(=O)COC(=O)C2=CN=CC=C2)OC(=O)C3=CN=CC=C3 |
| InChIKey | LIBWKUORUVCMDA-UHFFFAOYSA-N |
Product Overview
Nicotinic acid, diester with 2,4'-dihydroxy-3'-methoxyacetophenone (CAS 54-83-1), with molecular formula C21H16N2O6 and molecular weight 392.10 g/mol. IUPAC: [2-[3-methoxy-4-(pyridine-3-carbonyloxy)phenyl]-2-oxoethyl] pyridine-3-carboxylate.
Chemical Property Profile of Nicotinic acid, diester with 2,4'-dihydroxy-3'-methoxyacetophenone
Property Insights of Nicotinic acid, diester with 2,4'-dihydroxy-3'-methoxyacetophenone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicotinic acid, diester with 2,4'-dihydroxy-3'-methoxyacetophenone. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nicotinic acid, diester with 2,4'-dihydroxy-3'-methoxyacetophenone. Following Lipinski's Rule of Five, Nicotinic acid, diester with 2,4'-dihydroxy-3'-methoxyacetophenone has 0 hydrogen bond donor(s) and 8 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 Nicotinic acid, diester with 2,4'-dihydroxy-3'-methoxyacetophenone?
The CAS number of Nicotinic acid, diester with 2,4'-dihydroxy-3'-methoxyacetophenone is 54-83-1.
What is the molecular formula of Nicotinic acid, diester with 2,4'-dihydroxy-3'-methoxyacetophenone?
The molecular formula of Nicotinic acid, diester with 2,4'-dihydroxy-3'-methoxyacetophenone is C21H16N2O6.
What is the molecular weight of Nicotinic acid, diester with 2,4'-dihydroxy-3'-methoxyacetophenone?
The molecular weight of Nicotinic acid, diester with 2,4'-dihydroxy-3'-methoxyacetophenone is 392.10 g/mol.
Where can I buy Nicotinic acid, diester with 2,4'-dihydroxy-3'-methoxyacetophenone?
You can request a quote for Nicotinic acid, diester with 2,4'-dihydroxy-3'-methoxyacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotinic acid, diester with 2,4'-dihydroxy-3'-methoxyacetophenone?
Yes, KEHONG BIO provides custom synthesis services for Nicotinic acid, diester with 2,4'-dihydroxy-3'-methoxyacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.