o-vanillyl methyl ether
TL;DR: o-vanillyl methyl ether (CAS 104199-26-0) is a chemical compound with molecular formula C15H20O5 and molecular weight 280.13107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(1R,4aS,8S,8aR)-8-hydroxy-8a-(methoxymethyl)-5-methyl-7-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid
Also Known As: o-vanillyl methyl ether, KST-1A0644, [(1r,4as,8s,8ar)-8-hydroxy-8a-(methoxymethyl)-5-methyl-7-oxo-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]acetic acid, 1-Naphthaleneacetic acid, 1,4,4a,7,8,8a-hexahydro-8-hydroxy-8a-(methoxymethyl)-5-methyl-7-oxo-, (1alpha,4aalpha,8beta,8abeta)-, ((1R,4aS,8S,8aR)-8-Hydroxy-8a-methoxymethyl-5-methyl-7-oxo-1,4,4a,7,8,8a-hexahydro-naphthalen-1-yl)-acetic acid
Technical Specifications
| Molecular Formula | C15H20O5 |
| Molecular Weight | 280.13107 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.13107 Da |
| Heavy Atoms | 20 |
| Complexity | 479.0 |
| SMILES | CC1=CC(=O)[C@H]([C@]2([C@H]1CC=C[C@H]2CC(=O)O)COC)O |
| InChIKey | FPQOJUJDLNQAFY-UOVKNHIHSA-N |
Chemical Property Profile of o-vanillyl methyl ether
Property Insights of o-vanillyl methyl ether
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-vanillyl methyl ether. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for o-vanillyl methyl ether. Following Lipinski's Rule of Five, o-vanillyl methyl ether has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of o-vanillyl methyl ether?
The CAS number of o-vanillyl methyl ether is 104199-26-0.
What is the molecular formula of o-vanillyl methyl ether?
The molecular formula of o-vanillyl methyl ether is C15H20O5.
What is the molecular weight of o-vanillyl methyl ether?
The molecular weight of o-vanillyl methyl ether is 280.13107 g/mol.
Where can I buy o-vanillyl methyl ether?
You can request a quote for o-vanillyl methyl ether directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for o-vanillyl methyl ether?
Yes, CoreyChem provides custom synthesis services for o-vanillyl methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.