Methyl vetivate
TL;DR: Methyl vetivate (CAS 68698-57-7) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,6-dimethyl-5-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate
Also Known As: Methyl vetivate, 2-sec-butyl-4-methyl-1,3-dioxane, 1,6-Dimethyl-2-carbomethoxy-5-isopropenyl-5-norbornene, Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 1,6-dimethyl-5-(1-methylethenyl)-, methyl ester, Bicyclo(2.2.1)hept-5-ene-2-carboxylic acid, 1,6-dimethyl-5-(1-methylethenyl)-, methyl ester
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 68698-57-7 |
|---|---|
| SMILES | CC1=C(C2CC(C1(C2)C)C(=O)OC)C(=C)C |
| InChIKey | QGLOTHQLJUMRHT-UHFFFAOYSA-N |
Product Overview
Methyl vetivate (CAS 68698-57-7), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: methyl 1,6-dimethyl-5-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate.
Chemical Property Profile of Methyl vetivate
Property Insights of Methyl vetivate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl vetivate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl vetivate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl vetivate has 0 hydrogen bond donor(s) and 2 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 Methyl vetivate?
The CAS number of Methyl vetivate is 68698-57-7.
What is the molecular formula of Methyl vetivate?
The molecular formula of Methyl vetivate is C14H20O2.
What is the molecular weight of Methyl vetivate?
The molecular weight of Methyl vetivate is 220.15 g/mol.
Where can I buy Methyl vetivate?
You can request a quote for Methyl vetivate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl vetivate?
Yes, KEHONG BIO provides custom synthesis services for Methyl vetivate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.