Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, 2-hydroxyethyl ester
TL;DR: Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, 2-hydroxyethyl ester (CAS 100347-77-1) is a chemical compound with molecular formula C18H26O4 and molecular weight 306.1831 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxyethyl 4-prop-2-enoxy-3,5-dipropylbenzoate
Also Known As: 2-hydroxyethyl 4-prop-2-enoxy-3,5-dipropylbenzoate, beta-Hydroxyethyl 4-allyloxy-3,5-dipropylbenzoate, BENZOIC ACID, 4-(ALLYLOXY)-3,5-DIPROPYL-, 2-HYDROXYETHYL ESTER, 4-Allyloxy-3,5-dipropylbenzoic acid 2-hydroxyethyl ester, 2-Hydroxyethyl=4-(allyloxy)-3,5-dipropylbenzoate
Technical Specifications
| Molecular Formula | C18H26O4 |
| Molecular Weight | 306.1831 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 306.1831 Da |
| Heavy Atoms | 22 |
| Complexity | 313.0 |
| SMILES | CCCC1=CC(=CC(=C1OCC=C)CCC)C(=O)OCCO |
| InChIKey | ONSRRKMXWGNSJK-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, 2-hydroxyethyl ester
Property Insights of Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, 2-hydroxyethyl ester
The XLogP value of 4.4 indicates that Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, 2-hydroxyethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, 2-hydroxyethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, 2-hydroxyethyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, 2-hydroxyethyl ester?
The CAS number of Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, 2-hydroxyethyl ester is 100347-77-1.
What is the molecular formula of Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, 2-hydroxyethyl ester?
The molecular formula of Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, 2-hydroxyethyl ester is C18H26O4.
What is the molecular weight of Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, 2-hydroxyethyl ester?
The molecular weight of Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, 2-hydroxyethyl ester is 306.1831 g/mol.
Where can I buy Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, 2-hydroxyethyl ester?
You can request a quote for Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, 2-hydroxyethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, 2-hydroxyethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, 2-hydroxyethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.