3-Phenylprop-2-enyl 2-bromohexanoate
TL;DR: 3-Phenylprop-2-enyl 2-bromohexanoate (CAS 127951-07-9) is a chemical compound with molecular formula C15H19BrO2 and molecular weight 310.05685 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenylprop-2-enyl 2-bromohexanoate
Also Known As: Cinnamyl 2-bromohexanoate, 3-phenylallyl 2-bromohexanoate, 3-phenylprop-2-enyl 2-bromohexanoate
Technical Specifications
| Molecular Formula | C15H19BrO2 |
| Molecular Weight | 310.05685 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 310.05685 Da |
| Heavy Atoms | 18 |
| Complexity | 257.0 |
| SMILES | CCCCC(C(=O)OCC=CC1=CC=CC=C1)Br |
| InChIKey | QWUVCUISTSDCLI-UHFFFAOYSA-N |
Chemical Property Profile of 3-Phenylprop-2-enyl 2-bromohexanoate
Property Insights of 3-Phenylprop-2-enyl 2-bromohexanoate
The XLogP value of 4.9 indicates that 3-Phenylprop-2-enyl 2-bromohexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Phenylprop-2-enyl 2-bromohexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylprop-2-enyl 2-bromohexanoate 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 3-Phenylprop-2-enyl 2-bromohexanoate?
The CAS number of 3-Phenylprop-2-enyl 2-bromohexanoate is 127951-07-9.
What is the molecular formula of 3-Phenylprop-2-enyl 2-bromohexanoate?
The molecular formula of 3-Phenylprop-2-enyl 2-bromohexanoate is C15H19BrO2.
What is the molecular weight of 3-Phenylprop-2-enyl 2-bromohexanoate?
The molecular weight of 3-Phenylprop-2-enyl 2-bromohexanoate is 310.05685 g/mol.
Where can I buy 3-Phenylprop-2-enyl 2-bromohexanoate?
You can request a quote for 3-Phenylprop-2-enyl 2-bromohexanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Phenylprop-2-enyl 2-bromohexanoate?
Yes, CoreyChem provides custom synthesis services for 3-Phenylprop-2-enyl 2-bromohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.