![2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-hexylbenzoate structure](/static/products/138/138295-13-3.png)
2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-hexylbenzoate
TL;DR: 2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-hexylbenzoate (CAS 138295-13-3) is a chemical compound with molecular formula C29H40O4 and molecular weight 452.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-octoxyphenyl)-2-oxoethyl] 4-hexylbenzoate
Also Known As: 2-[4-(octyloxy)phenyl]-2-oxoethyl 4-hexylbenzoate, 4-Hexylbenzoic acid 4-(octyloxy)phenacyl ester, [2-(4-octoxyphenyl)-2-oxoethyl] 4-hexylbenzoate, [2-(4-octoxyphenyl)-2-oxo-ethyl] 4-hexylbenzoate, 2-(4-(octyloxy)phenyl)-2-oxoethyl 4-hexylbenzoate
| Molecular Formula | C29H40O4 |
|---|---|
| Molecular Weight | 452.29 g/mol |
| LogP | 7.5884 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 452.29266 |
| Heavy Atoms | 33 |
| Complexity | 808.52045 |
Chemical Identifiers
| CAS Number | 138295-13-3 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)CCCCCC |
Product Overview
2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-hexylbenzoate (CAS 138295-13-3), with molecular formula C29H40O4 and molecular weight 452.29 g/mol. IUPAC: [2-(4-octoxyphenyl)-2-oxoethyl] 4-hexylbenzoate.
Chemical Property Profile of 2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-hexylbenzoate
Property Insights of 2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-hexylbenzoate
The XLogP value of 7.5884 indicates that 2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-hexylbenzoate 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-(Octyloxy)phenyl]-2-oxoethyl 4-hexylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-hexylbenzoate 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-(Octyloxy)phenyl]-2-oxoethyl 4-hexylbenzoate?
The CAS number of 2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-hexylbenzoate is 138295-13-3.
What is the molecular formula of 2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-hexylbenzoate?
The molecular formula of 2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-hexylbenzoate is C29H40O4.
What is the molecular weight of 2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-hexylbenzoate?
The molecular weight of 2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-hexylbenzoate is 452.29 g/mol.
Where can I buy 2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-hexylbenzoate?
You can request a quote for 2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-hexylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-hexylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-hexylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.