Benzoic acid, 3,5-dipropyl-4-(2-methylallyl)-, ethyl ester
TL;DR: Benzoic acid, 3,5-dipropyl-4-(2-methylallyl)-, ethyl ester (CAS 100482-43-7) is a chemical compound with molecular formula C19H28O2 and molecular weight 288.20892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-(2-methylprop-2-enyl)-3,5-dipropylbenzoate
Also Known As: Ethyl 4-methallyloxy-3,5-dipropylbenzoate, 3,5-Dipropyl-4-(2-methylallyl)benzoic acid ethyl ester, BENZOIC ACID, 3,5-DIPROPYL-4-(2-METHYLALLYL)-, ETHYL ESTER, ethyl 4-(2-methylprop-2-en-1-yl)-3,5-dipropylbenzoate, ethyl 4-(2-methylprop-2-enyl)-3,5-dipropylbenzoate
Technical Specifications
| Molecular Formula | C19H28O2 |
| Molecular Weight | 288.20892 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 288.20892 Da |
| Heavy Atoms | 21 |
| Complexity | 318.0 |
| SMILES | CCCC1=CC(=CC(=C1CC(=C)C)CCC)C(=O)OCC |
| InChIKey | HWIXDIXLHKCHDY-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 3,5-dipropyl-4-(2-methylallyl)-, ethyl ester
Property Insights of Benzoic acid, 3,5-dipropyl-4-(2-methylallyl)-, ethyl ester
The XLogP value of 6.5 indicates that Benzoic acid, 3,5-dipropyl-4-(2-methylallyl)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzoic acid, 3,5-dipropyl-4-(2-methylallyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3,5-dipropyl-4-(2-methylallyl)-, ethyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 3,5-dipropyl-4-(2-methylallyl)-, ethyl ester?
The CAS number of Benzoic acid, 3,5-dipropyl-4-(2-methylallyl)-, ethyl ester is 100482-43-7.
What is the molecular formula of Benzoic acid, 3,5-dipropyl-4-(2-methylallyl)-, ethyl ester?
The molecular formula of Benzoic acid, 3,5-dipropyl-4-(2-methylallyl)-, ethyl ester is C19H28O2.
What is the molecular weight of Benzoic acid, 3,5-dipropyl-4-(2-methylallyl)-, ethyl ester?
The molecular weight of Benzoic acid, 3,5-dipropyl-4-(2-methylallyl)-, ethyl ester is 288.20892 g/mol.
Where can I buy Benzoic acid, 3,5-dipropyl-4-(2-methylallyl)-, ethyl ester?
You can request a quote for Benzoic acid, 3,5-dipropyl-4-(2-methylallyl)-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 3,5-dipropyl-4-(2-methylallyl)-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 3,5-dipropyl-4-(2-methylallyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.