2-(4-Bromophenyl)-2-oxoethyl 4-(octyloxy)benzoate
TL;DR: 2-(4-Bromophenyl)-2-oxoethyl 4-(octyloxy)benzoate (CAS 345992-00-9) is a chemical compound with molecular formula C23H27BrO4 and molecular weight 446.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] 4-octoxybenzoate
Also Known As: 2-(4-Bromophenyl)-2-oxoethyl 4-(octyloxy)benzoate, 2-(4-bromophenyl)-2-oxoethyl 4-octyloxybenzoate, [2-(4-bromophenyl)-2-oxoethyl] 4-octoxybenzoate, 2-(4-Bromophenyl)-2-oxoethyl 4-(octyloxy)benzoate #, Benzoic acid, 4-octyloxy-, 2-(4-bromophenyl)-2-oxoethyl ester
| Molecular Formula | C23H27BrO4 |
|---|---|
| Molecular Weight | 446.11 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 446.10928 |
| Heavy Atoms | 28 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 345992-00-9 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br |
| InChIKey | HKGNEWRMTNSEIB-UHFFFAOYSA-N |
Product Overview
2-(4-Bromophenyl)-2-oxoethyl 4-(octyloxy)benzoate (CAS 345992-00-9), with molecular formula C23H27BrO4 and molecular weight 446.11 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] 4-octoxybenzoate.
Chemical Property Profile of 2-(4-Bromophenyl)-2-oxoethyl 4-(octyloxy)benzoate
Property Insights of 2-(4-Bromophenyl)-2-oxoethyl 4-(octyloxy)benzoate
The XLogP value of 7.3 indicates that 2-(4-Bromophenyl)-2-oxoethyl 4-(octyloxy)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-(4-Bromophenyl)-2-oxoethyl 4-(octyloxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-2-oxoethyl 4-(octyloxy)benzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Bromophenyl)-2-oxoethyl 4-(octyloxy)benzoate?
The CAS number of 2-(4-Bromophenyl)-2-oxoethyl 4-(octyloxy)benzoate is 345992-00-9.
What is the molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 4-(octyloxy)benzoate?
The molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 4-(octyloxy)benzoate is C23H27BrO4.
What is the molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 4-(octyloxy)benzoate?
The molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 4-(octyloxy)benzoate is 446.11 g/mol.
Where can I buy 2-(4-Bromophenyl)-2-oxoethyl 4-(octyloxy)benzoate?
You can request a quote for 2-(4-Bromophenyl)-2-oxoethyl 4-(octyloxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromophenyl)-2-oxoethyl 4-(octyloxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-2-oxoethyl 4-(octyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.