Phenylacetic acid, 3-methylbut-2-enyl ester
TL;DR: Phenylacetic acid, 3-methylbut-2-enyl ester (CAS 151091-17-7) 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.
3-methylbut-2-enyl 2-phenylacetate
Also Known As: 3-methylbut-2-enyl 2-phenylacetate, 3-Methyl-2-butenyl phenylacetate, 3-Methyl-2-butenyl phenylacetate #, 3-Methyl-2-buten-1-yl phenylacetate, Phenylacetic acid, 3-methylbut-2-enyl ester
Technical Specifications
| Molecular Formula | C13H16O2 |
| Molecular Weight | 204.11504 g/mol |
| XLogP | 3.2 |
| 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 | 221.0 |
| SMILES | CC(=CCOC(=O)CC1=CC=CC=C1)C |
| InChIKey | AJONNXSYRQWSAE-UHFFFAOYSA-N |
Chemical Property Profile of Phenylacetic acid, 3-methylbut-2-enyl ester
Property Insights of Phenylacetic acid, 3-methylbut-2-enyl ester
The XLogP value of 3.2 indicates that Phenylacetic acid, 3-methylbut-2-enyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Phenylacetic acid, 3-methylbut-2-enyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylacetic acid, 3-methylbut-2-enyl ester 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 Phenylacetic acid, 3-methylbut-2-enyl ester?
The CAS number of Phenylacetic acid, 3-methylbut-2-enyl ester is 151091-17-7.
What is the molecular formula of Phenylacetic acid, 3-methylbut-2-enyl ester?
The molecular formula of Phenylacetic acid, 3-methylbut-2-enyl ester is C13H16O2.
What is the molecular weight of Phenylacetic acid, 3-methylbut-2-enyl ester?
The molecular weight of Phenylacetic acid, 3-methylbut-2-enyl ester is 204.11504 g/mol.
Where can I buy Phenylacetic acid, 3-methylbut-2-enyl ester?
You can request a quote for Phenylacetic acid, 3-methylbut-2-enyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenylacetic acid, 3-methylbut-2-enyl ester?
Yes, CoreyChem provides custom synthesis services for Phenylacetic acid, 3-methylbut-2-enyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.