Octadecyl 4-formylbenzoate
TL;DR: Octadecyl 4-formylbenzoate (CAS 151029-29-7) is a chemical compound with molecular formula C26H42O3 and molecular weight 402.3134 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octadecyl 4-formylbenzoate
Also Known As: Octadecyl 4-formylbenzoate, Hydrogen sulfite ionophore I, ETH 5444, 4-Formylbenzoic acid octadecyl ester, Benzoic acid, 4-formyl-, octadecyl ester
Technical Specifications
| Molecular Formula | C26H42O3 |
| Molecular Weight | 402.3134 g/mol |
| XLogP | 10.6 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 20 |
| Exact Mass | 402.3134 Da |
| Heavy Atoms | 29 |
| Complexity | 385.0 |
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)C=O |
| InChIKey | DSTQLLFFZIANJD-UHFFFAOYSA-N |
Chemical Property Profile of Octadecyl 4-formylbenzoate
Property Insights of Octadecyl 4-formylbenzoate
The XLogP value of 10.6 indicates that Octadecyl 4-formylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Octadecyl 4-formylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadecyl 4-formylbenzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Octadecyl 4-formylbenzoate?
The CAS number of Octadecyl 4-formylbenzoate is 151029-29-7.
What is the molecular formula of Octadecyl 4-formylbenzoate?
The molecular formula of Octadecyl 4-formylbenzoate is C26H42O3.
What is the molecular weight of Octadecyl 4-formylbenzoate?
The molecular weight of Octadecyl 4-formylbenzoate is 402.3134 g/mol.
Where can I buy Octadecyl 4-formylbenzoate?
You can request a quote for Octadecyl 4-formylbenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octadecyl 4-formylbenzoate?
Yes, CoreyChem provides custom synthesis services for Octadecyl 4-formylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.