2-Methylpropyl 2-(3-phenylprop-2-enoyloxy)benzoate
TL;DR: 2-Methylpropyl 2-(3-phenylprop-2-enoyloxy)benzoate (CAS 17140-04-4) is a chemical compound with molecular formula C20H20O4 and molecular weight 324.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-(3-phenylprop-2-enoyloxy)benzoate
Also Known As: ISOBUTYLSALICYL CINNAMATE, Cinnamic acid, ester with isobutyl salicylate, 2-methylpropyl 2-(3-phenylprop-2-enoyloxy)benzoate, Benzoic acid, 2-[(1-oxo-3-phenyl-2-propenyl)oxy]-, 2-methylpropyl ester, Benzoic acid,2-[(1-oxo-3-phenyl-2-propen-1-yl)oxy]-, 2-methylpropyl ester
| Molecular Formula | C20H20O4 |
|---|---|
| Molecular Weight | 324.14 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 324.13617 |
| Heavy Atoms | 24 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 17140-04-4 |
|---|---|
| SMILES | CC(C)COC(=O)C1=CC=CC=C1OC(=O)C=CC2=CC=CC=C2 |
| InChIKey | KLWUCKSEMIGJSG-UHFFFAOYSA-N |
Product Overview
2-Methylpropyl 2-(3-phenylprop-2-enoyloxy)benzoate (CAS 17140-04-4), with molecular formula C20H20O4 and molecular weight 324.14 g/mol. IUPAC: 2-methylpropyl 2-(3-phenylprop-2-enoyloxy)benzoate.
Chemical Property Profile of 2-Methylpropyl 2-(3-phenylprop-2-enoyloxy)benzoate
Property Insights of 2-Methylpropyl 2-(3-phenylprop-2-enoyloxy)benzoate
The XLogP value of 4.6 indicates that 2-Methylpropyl 2-(3-phenylprop-2-enoyloxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Methylpropyl 2-(3-phenylprop-2-enoyloxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylpropyl 2-(3-phenylprop-2-enoyloxy)benzoate has 0 hydrogen bond donor(s) and 4 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 2-Methylpropyl 2-(3-phenylprop-2-enoyloxy)benzoate?
The CAS number of 2-Methylpropyl 2-(3-phenylprop-2-enoyloxy)benzoate is 17140-04-4.
What is the molecular formula of 2-Methylpropyl 2-(3-phenylprop-2-enoyloxy)benzoate?
The molecular formula of 2-Methylpropyl 2-(3-phenylprop-2-enoyloxy)benzoate is C20H20O4.
What is the molecular weight of 2-Methylpropyl 2-(3-phenylprop-2-enoyloxy)benzoate?
The molecular weight of 2-Methylpropyl 2-(3-phenylprop-2-enoyloxy)benzoate is 324.14 g/mol.
Where can I buy 2-Methylpropyl 2-(3-phenylprop-2-enoyloxy)benzoate?
You can request a quote for 2-Methylpropyl 2-(3-phenylprop-2-enoyloxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylpropyl 2-(3-phenylprop-2-enoyloxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylpropyl 2-(3-phenylprop-2-enoyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.