4-Bromophenyl octanoate
TL;DR: 4-Bromophenyl octanoate (CAS 6976-59-6) is a chemical compound with molecular formula C14H19BrO2 and molecular weight 298.05685 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-bromophenyl) octanoate
Also Known As: 4-bromophenyl octanoate, (4-bromophenyl) octanoate, 4-Bromophenyl 4-bromooctanoate, Octanoic acid 4-bromophenyl ester, EINECS 230-238-2
Technical Specifications
| Molecular Formula | C14H19BrO2 |
| Molecular Weight | 298.05685 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 298.05685 Da |
| Heavy Atoms | 17 |
| Complexity | 210.0 |
| SMILES | CCCCCCCC(=O)OC1=CC=C(C=C1)Br |
| InChIKey | PFUUOKCQTTUHFB-UHFFFAOYSA-N |
Chemical Property Profile of 4-Bromophenyl octanoate
Property Insights of 4-Bromophenyl octanoate
The XLogP value of 5.4 indicates that 4-Bromophenyl octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Bromophenyl octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromophenyl octanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-Bromophenyl octanoate?
The CAS number of 4-Bromophenyl octanoate is 6976-59-6.
What is the molecular formula of 4-Bromophenyl octanoate?
The molecular formula of 4-Bromophenyl octanoate is C14H19BrO2.
What is the molecular weight of 4-Bromophenyl octanoate?
The molecular weight of 4-Bromophenyl octanoate is 298.05685 g/mol.
Where can I buy 4-Bromophenyl octanoate?
You can request a quote for 4-Bromophenyl octanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Bromophenyl octanoate?
Yes, CoreyChem provides custom synthesis services for 4-Bromophenyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.