Geijerin
TL;DR: Geijerin (CAS 450-16-8) is a chemical compound with molecular formula C15H16O4 and molecular weight 260.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-6-(3-methylbutanoyl)chromen-2-one
Also Known As: GEIJERIN, 6-Isovalerylherniarin, 6-Isovaleryl-7-methoxycoumarin, 6-Isovaleryl-7-methoxy-cumarin, 6-(3-methyl-1-oxobutyl)-7-methoxycoumarin
| Molecular Formula | C15H16O4 |
|---|---|
| Molecular Weight | 260.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.10486 |
| Heavy Atoms | 19 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 450-16-8 |
|---|---|
| SMILES | CC(C)CC(=O)C1=C(C=C2C(=C1)C=CC(=O)O2)OC |
| InChIKey | ZXVIZFSHTAUXCC-UHFFFAOYSA-N |
Product Overview
Geijerin (CAS 450-16-8), with molecular formula C15H16O4 and molecular weight 260.10 g/mol. IUPAC: 7-methoxy-6-(3-methylbutanoyl)chromen-2-one.
Chemical Property Profile of Geijerin
Property Insights of Geijerin
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Geijerin. With a topological polar surface area (TPSA) of 52.6 Ų, Geijerin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Geijerin 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 Geijerin?
The CAS number of Geijerin is 450-16-8.
What is the molecular formula of Geijerin?
The molecular formula of Geijerin is C15H16O4.
What is the molecular weight of Geijerin?
The molecular weight of Geijerin is 260.10 g/mol.
Where can I buy Geijerin?
You can request a quote for Geijerin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Geijerin?
Yes, KEHONG BIO provides custom synthesis services for Geijerin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.