肉桂酸异丁酯
TL;DR: 肉桂酸异丁酯 (CAS 122-67-8) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
肉桂酸异丁酯
2-methylpropyl 3-phenylprop-2-enoate
Also Known As: Isobutyl cinnamate, Labdanol, iso-Butyl cinnamate, 2-Methylpropyl cinnamate, Isobutyl 3-phenylacrylate
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 122-67-8 |
|---|---|
| SMILES | CC(C)COC(=O)C=CC1=CC=CC=C1 |
| InChIKey | IQZUZPKOFSOVET-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
肉桂酸异丁酯 (CAS 122-67-8), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: 2-methylpropyl 3-phenylprop-2-enoate.
Chemical Property Profile of 肉桂酸异丁酯
Property Insights of 肉桂酸异丁酯
The XLogP value of 4.0 indicates that 肉桂酸异丁酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 肉桂酸异丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 肉桂酸异丁酯 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 肉桂酸异丁酯?
The CAS number of 肉桂酸异丁酯 is 122-67-8.
What is the molecular formula of 肉桂酸异丁酯?
The molecular formula of 肉桂酸异丁酯 is C13H16O2.
What is the molecular weight of 肉桂酸异丁酯?
The molecular weight of 肉桂酸异丁酯 is 204.12 g/mol.
Where can I buy 肉桂酸异丁酯?
You can request a quote for 肉桂酸异丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 肉桂酸异丁酯?
Yes, KEHONG BIO provides custom synthesis services for 肉桂酸异丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.