4-(4-Pyridyl)-5,6,7-trimethoxycoumarin
TL;DR: 4-(4-Pyridyl)-5,6,7-trimethoxycoumarin (CAS 851-30-9) is a chemical compound with molecular formula C17H15NO5 and molecular weight 313.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6,7-trimethoxy-4-pyridin-4-ylchromen-2-one
Also Known As: NIOSH/GN8266666, 4-(4-Pyridyl)-5,6,7-trimethoxycoumarin, 5,6,7-Trimethoxy-4-(4-pyridyl)coumarin, Coumarin, 4-(4-pyridyl)-5,6,7-trimethoxy-, 5,6,7-trimethoxy-4-pyridin-4-ylchromen-2-one
| Molecular Formula | C17H15NO5 |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 2.8808 |
| Topological Polar Surface Area | 70.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.09503 |
| Heavy Atoms | 23 |
| Complexity | 902.241 |
Chemical Identifiers
| CAS Number | 851-30-9 |
|---|---|
| SMILES | COC1=C(C(=C2C(=CC(=O)OC2=C1)C3=CC=NC=C3)OC)OC |
Product Overview
4-(4-Pyridyl)-5,6,7-trimethoxycoumarin (CAS 851-30-9), with molecular formula C17H15NO5 and molecular weight 313.10 g/mol. IUPAC: 5,6,7-trimethoxy-4-pyridin-4-ylchromen-2-one.
Chemical Property Profile of 4-(4-Pyridyl)-5,6,7-trimethoxycoumarin
Property Insights of 4-(4-Pyridyl)-5,6,7-trimethoxycoumarin
The XLogP value of 2.8808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Pyridyl)-5,6,7-trimethoxycoumarin. The TPSA of 70.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Pyridyl)-5,6,7-trimethoxycoumarin. Following Lipinski's Rule of Five, 4-(4-Pyridyl)-5,6,7-trimethoxycoumarin 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 4-(4-Pyridyl)-5,6,7-trimethoxycoumarin?
The CAS number of 4-(4-Pyridyl)-5,6,7-trimethoxycoumarin is 851-30-9.
What is the molecular formula of 4-(4-Pyridyl)-5,6,7-trimethoxycoumarin?
The molecular formula of 4-(4-Pyridyl)-5,6,7-trimethoxycoumarin is C17H15NO5.
What is the molecular weight of 4-(4-Pyridyl)-5,6,7-trimethoxycoumarin?
The molecular weight of 4-(4-Pyridyl)-5,6,7-trimethoxycoumarin is 313.10 g/mol.
Where can I buy 4-(4-Pyridyl)-5,6,7-trimethoxycoumarin?
You can request a quote for 4-(4-Pyridyl)-5,6,7-trimethoxycoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Pyridyl)-5,6,7-trimethoxycoumarin?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Pyridyl)-5,6,7-trimethoxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.