Methyl geranate
TL;DR: Methyl geranate (CAS 1862-61-9) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-3,7-dimethylocta-2,6-dienoate
Also Known As: Methyl geranate, E-Methylgeranate, methyl geraniate, Methylgeranate, Methyl trans-geranate
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 2.8521 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 220.24478 |
Chemical Identifiers
| CAS Number | 1862-61-9 |
|---|---|
| SMILES | CC(=CCC/C(=C/C(=O)OC)/C)C |
Product Overview
Methyl geranate (CAS 1862-61-9), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: methyl (2E)-3,7-dimethylocta-2,6-dienoate.
Chemical Property Profile of Methyl geranate
Property Insights of Methyl geranate
The XLogP value of 2.8521 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl geranate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl geranate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl geranate 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 geranate?
The CAS number of Methyl geranate is 1862-61-9.
What is the molecular formula of Methyl geranate?
The molecular formula of Methyl geranate is C11H18O2.
What is the molecular weight of Methyl geranate?
The molecular weight of Methyl geranate is 182.13 g/mol.
Where can I buy Methyl geranate?
You can request a quote for Methyl geranate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl geranate?
Yes, KEHONG BIO provides custom synthesis services for Methyl geranate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.