Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester
TL;DR: Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester (CAS 100482-28-8) is a chemical compound with molecular formula C15H22O3 and molecular weight 250.15689 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-hydroxy-3,5-dipropylbenzoate
Also Known As: ethyl 4-hydroxy-3,5-dipropylbenzoate, 3,5-Dipropyl-4-hydroxybenzoic acid ethyl ester, 4-10-00-00758 (Beilstein Handbook Reference), BENZOIC ACID, 3,5-DIPROPYL-4-HYDROXY-, ETHYL ESTER, 3-AMINO-3-[4-(3-DIMETHYLAMINO-PROPOXY)-PHENYL]-PROPIONICACID
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H22O3 |
| Molecular Weight | 250.15689 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 250.15689 Da |
| Heavy Atoms | 18 |
| Complexity | 236.0 |
| SMILES | CCCC1=CC(=CC(=C1O)CCC)C(=O)OCC |
| InChIKey | ADTCUYSWDYZSIG-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester
Property Insights of Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester
The XLogP value of 4.5 indicates that Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester has 1 hydrogen bond donor(s) and 3 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, 3,5-dipropyl-4-hydroxy-, ethyl ester?
The CAS number of Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester is 100482-28-8.
What is the molecular formula of Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester?
The molecular formula of Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester is C15H22O3.
What is the molecular weight of Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester?
The molecular weight of Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester is 250.15689 g/mol.
Where can I buy Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester?
You can request a quote for Benzoic acid, 3,5-dipropyl-4-hydroxy-, 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-hydroxy-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.