Myrtenyl isobutyrate
TL;DR: Myrtenyl isobutyrate (CAS 29021-37-2) is a chemical compound with molecular formula C14H22O2 and molecular weight 222.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl 2-methylpropanoate
Also Known As: 2-Pinen-10-yl isobutyrate, Myrtenyl isobutyrate, 2-pinen-10-ylisobutyrate, 2-pinen-10-yl 2-methylpropionate, Isobutyric acid, 2-pinen-10-yl ester
| Molecular Formula | C14H22O2 |
|---|---|
| Molecular Weight | 222.16 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.16199 |
| Heavy Atoms | 16 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 29021-37-2 |
|---|---|
| SMILES | CC(C)C(=O)OCC1=CCC2CC1C2(C)C |
| InChIKey | HPAQTXNDJUZELN-UHFFFAOYSA-N |
Product Overview
Myrtenyl isobutyrate (CAS 29021-37-2), with molecular formula C14H22O2 and molecular weight 222.16 g/mol. IUPAC: (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl 2-methylpropanoate.
Chemical Property Profile of Myrtenyl isobutyrate
Property Insights of Myrtenyl isobutyrate
The XLogP value of 3.2 indicates that Myrtenyl isobutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Myrtenyl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Myrtenyl isobutyrate 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 Myrtenyl isobutyrate?
The CAS number of Myrtenyl isobutyrate is 29021-37-2.
What is the molecular formula of Myrtenyl isobutyrate?
The molecular formula of Myrtenyl isobutyrate is C14H22O2.
What is the molecular weight of Myrtenyl isobutyrate?
The molecular weight of Myrtenyl isobutyrate is 222.16 g/mol.
Where can I buy Myrtenyl isobutyrate?
You can request a quote for Myrtenyl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Myrtenyl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Myrtenyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.