Isobutyl Cinnamate
TL;DR: Isobutyl Cinnamate (CAS 123252-20-0) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylpropyl (E)-3-phenylprop-2-enoate
Also Known As: Isobutyl cinnamate, Labdanol, 2-Methylpropyl cinnamate, isobutylcinnamat, Isobutyl cinammate
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H16O2 |
| Molecular Weight | 204.11504 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 204.11504 Da |
| Heavy Atoms | 15 |
| Complexity | 213.0 |
| SMILES | CC(C)COC(=O)/C=C/C1=CC=CC=C1 |
| InChIKey | IQZUZPKOFSOVET-CMDGGOBGSA-N |
Chemical Property Profile of Isobutyl Cinnamate
Property Insights of Isobutyl Cinnamate
The XLogP value of 4.0 indicates that Isobutyl Cinnamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Isobutyl Cinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl Cinnamate 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
What is the CAS number of Isobutyl Cinnamate?
The CAS number of Isobutyl Cinnamate is 123252-20-0.
What is the molecular formula of Isobutyl Cinnamate?
The molecular formula of Isobutyl Cinnamate is C13H16O2.
What is the molecular weight of Isobutyl Cinnamate?
The molecular weight of Isobutyl Cinnamate is 204.11504 g/mol.
Where can I buy Isobutyl Cinnamate?
You can request a quote for Isobutyl Cinnamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isobutyl Cinnamate?
Yes, CoreyChem provides custom synthesis services for Isobutyl Cinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.