Methyl myrtenate
TL;DR: Methyl myrtenate (CAS 30649-97-9) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylate
Also Known As: methyl myrtenate, Methylmyrtenoat, Myrtenic acid methyl ester, Methyl myrtenate, (+/-)-, (+/-)-methyl myrtenate
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 2.1518 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 275.81488 |
Chemical Identifiers
| CAS Number | 30649-97-9 |
|---|---|
| SMILES | CC1(C2CC=C(C1C2)C(=O)OC)C |
Product Overview
Methyl myrtenate (CAS 30649-97-9), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: methyl 6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylate.
Chemical Property Profile of Methyl myrtenate
Property Insights of Methyl myrtenate
The XLogP value of 2.1518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl myrtenate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl myrtenate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl myrtenate 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 myrtenate?
The CAS number of Methyl myrtenate is 30649-97-9.
What is the molecular formula of Methyl myrtenate?
The molecular formula of Methyl myrtenate is C11H16O2.
What is the molecular weight of Methyl myrtenate?
The molecular weight of Methyl myrtenate is 180.12 g/mol.
Where can I buy Methyl myrtenate?
You can request a quote for Methyl myrtenate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl myrtenate?
Yes, KEHONG BIO provides custom synthesis services for Methyl myrtenate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.