Graveoline
TL;DR: Graveoline (CAS 485-61-0) is a chemical compound with molecular formula C17H13NO3 and molecular weight 279.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-1-methylquinolin-4-one
Also Known As: Graveoline, Graveolin, Foliosine, Rutamine, 2-(benzo[d][1,3]dioxol-5-yl)-1-methylquinolin-4(1H)-one
| Molecular Formula | C17H13NO3 |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.08954 |
| Heavy Atoms | 21 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 485-61-0 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=O)C=C1C3=CC4=C(C=C3)OCO4 |
| InChIKey | COBBNRKBTCBWQP-UHFFFAOYSA-N |
Product Overview
Graveoline (CAS 485-61-0), with molecular formula C17H13NO3 and molecular weight 279.09 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-1-methylquinolin-4-one.
Chemical Property Profile of Graveoline
Property Insights of Graveoline
The XLogP value of 3.1 indicates that Graveoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Graveoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Graveoline has 0 hydrogen bond donor(s) and 4 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 Graveoline?
The CAS number of Graveoline is 485-61-0.
What is the molecular formula of Graveoline?
The molecular formula of Graveoline is C17H13NO3.
What is the molecular weight of Graveoline?
The molecular weight of Graveoline is 279.09 g/mol.
Where can I buy Graveoline?
You can request a quote for Graveoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Graveoline?
Yes, KEHONG BIO provides custom synthesis services for Graveoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.