o-vanillyl methyl ether
TL;DR: o-vanillyl methyl ether (CAS 1137-67-3) is a chemical compound with molecular formula C15H18O5 and molecular weight 278.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-methoxy-13-(methoxymethyl)-2-oxatricyclo[7.3.1.05,13]trideca-6,11-diene-3,10-dione
Also Known As: o-vanillyl methyl ether, 9-methoxy-9b-(methoxymethyl)-3,3a,6,6a,9a,9b-hexahydrobenzo[de]chromene-2,7-dione, Naphtho(1,8-bc)pyran-2,7-dione, 3,3a,6,6a,9a,9b-hexahydro-9-methoxy-9b-(methoxymethyl)-, (3aalpha,6abeta,9abeta,9balpha)-, 9-Methoxy-9b-(methoxymethyl)-3,3a,6,6a,9a,9b-hexahydronaphtho[1,8-bc]pyran-2,7-dione
| Molecular Formula | C15H18O5 |
|---|---|
| Molecular Weight | 278.12 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.11542 |
| Heavy Atoms | 20 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 1137-67-3 |
|---|---|
| SMILES | COCC12C3CC=CC1CC(=O)OC2C(=CC3=O)OC |
| InChIKey | NLNLJUJHGJDQKK-UHFFFAOYSA-N |
Product Overview
o-vanillyl methyl ether (CAS 1137-67-3), with molecular formula C15H18O5 and molecular weight 278.12 g/mol. IUPAC: 12-methoxy-13-(methoxymethyl)-2-oxatricyclo[7.3.1.05,13]trideca-6,11-diene-3,10-dione.
Chemical Property Profile of o-vanillyl methyl ether
Property Insights of o-vanillyl methyl ether
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-vanillyl methyl ether. The TPSA of 61.8 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 0 hydrogen bond donor(s) and 5 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 o-vanillyl methyl ether?
The CAS number of o-vanillyl methyl ether is 1137-67-3.
What is the molecular formula of o-vanillyl methyl ether?
The molecular formula of o-vanillyl methyl ether is C15H18O5.
What is the molecular weight of o-vanillyl methyl ether?
The molecular weight of o-vanillyl methyl ether is 278.12 g/mol.
Where can I buy o-vanillyl methyl ether?
You can request a quote for o-vanillyl methyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-vanillyl methyl ether?
Yes, KEHONG BIO provides custom synthesis services for o-vanillyl methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.