Benzoic acid, 2-(dimethylamino)-, 2-ethylhexyl ester
TL;DR: Benzoic acid, 2-(dimethylamino)-, 2-ethylhexyl ester (CAS 68921-84-6) is a chemical compound with molecular formula C17H27NO2 and molecular weight 277.2042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethylhexyl 2-(dimethylamino)benzoate
Also Known As: 2-Ethylhexyl o-dimethylaminobenzoate, 2-ethylhexyl 2-(dimethylamino)benzoate, 2- benzoicacid2-ethylhexylester, Benzoic acid, 2-(dimethylamino)-, 2-ethylhexyl ester, 2-ethylhexyl-N,N-dimethylaminobenzoate
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H27NO2 |
| Molecular Weight | 277.2042 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 277.2042 Da |
| Heavy Atoms | 20 |
| Complexity | 278.0 |
| SMILES | CCCCC(CC)COC(=O)C1=CC=CC=C1N(C)C |
| InChIKey | PINYIMREBAFXFI-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 2-(dimethylamino)-, 2-ethylhexyl ester
Property Insights of Benzoic acid, 2-(dimethylamino)-, 2-ethylhexyl ester
The XLogP value of 4.6 indicates that Benzoic acid, 2-(dimethylamino)-, 2-ethylhexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Benzoic acid, 2-(dimethylamino)-, 2-ethylhexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-(dimethylamino)-, 2-ethylhexyl ester has 0 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, 2-(dimethylamino)-, 2-ethylhexyl ester?
The CAS number of Benzoic acid, 2-(dimethylamino)-, 2-ethylhexyl ester is 68921-84-6.
What is the molecular formula of Benzoic acid, 2-(dimethylamino)-, 2-ethylhexyl ester?
The molecular formula of Benzoic acid, 2-(dimethylamino)-, 2-ethylhexyl ester is C17H27NO2.
What is the molecular weight of Benzoic acid, 2-(dimethylamino)-, 2-ethylhexyl ester?
The molecular weight of Benzoic acid, 2-(dimethylamino)-, 2-ethylhexyl ester is 277.2042 g/mol.
Where can I buy Benzoic acid, 2-(dimethylamino)-, 2-ethylhexyl ester?
You can request a quote for Benzoic acid, 2-(dimethylamino)-, 2-ethylhexyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 2-(dimethylamino)-, 2-ethylhexyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2-(dimethylamino)-, 2-ethylhexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.