![2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-heptylbenzoate structure](/static/products/138/138295-16-6.webp)
2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-heptylbenzoate
TL;DR: 2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-heptylbenzoate (CAS 138295-16-6) is a chemical compound with molecular formula C30H42O4 and molecular weight 466.30832 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(4-octoxyphenyl)-2-oxoethyl] 4-heptylbenzoate
Also Known As: BAS 00395793, 2-[4-(octyloxy)phenyl]-2-oxoethyl 4-heptylbenzoate, 2-(4-octyloxyphenyl)-2-oxoethyl 4-heptylbenzoate, [2-(4-octoxyphenyl)-2-oxoethyl] 4-heptylbenzoate, 2-(4-(octyloxy)phenyl)-2-oxoethyl 4-heptylbenzoate
Technical Specifications
| Molecular Formula | C30H42O4 |
| Molecular Weight | 466.30832 g/mol |
| XLogP | 10.1 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Exact Mass | 466.30832 Da |
| Heavy Atoms | 34 |
| Complexity | 530.0 |
| SMILES | CCCCCCCCOC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)CCCCCCC |
| InChIKey | LWUJQQGUNNGNQM-UHFFFAOYSA-N |
Chemical Property Profile of 2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-heptylbenzoate
Property Insights of 2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-heptylbenzoate
The XLogP value of 10.1 indicates that 2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-heptylbenzoate 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-heptylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-heptylbenzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-heptylbenzoate?
The CAS number of 2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-heptylbenzoate is 138295-16-6.
What is the molecular formula of 2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-heptylbenzoate?
The molecular formula of 2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-heptylbenzoate is C30H42O4.
What is the molecular weight of 2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-heptylbenzoate?
The molecular weight of 2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-heptylbenzoate is 466.30832 g/mol.
Where can I buy 2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-heptylbenzoate?
You can request a quote for 2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-heptylbenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-heptylbenzoate?
Yes, CoreyChem provides custom synthesis services for 2-[4-(Octyloxy)phenyl]-2-oxoethyl 4-heptylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.