Benzoic acid, 4-(methylamino)-, 2-ethylhexyl ester
TL;DR: Benzoic acid, 4-(methylamino)-, 2-ethylhexyl ester (CAS 158576-31-9) is a chemical compound with molecular formula C16H25NO2 and molecular weight 263.18854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethylhexyl 4-(methylamino)benzoate
Also Known As: 2-ETHYLHEXYL 4-(METHYLAMINO)BENZOATE, Benzoic acid, 4-(methylamino)-, 2-ethylhexyl ester, 2-ethylhexyl 4-methylaminobenzoate, 2-ETHYLHEXYL4-(METHYLAMINO)BENZOATE, 4-(Methylamino)benzoic acid 2-ethylhexyl ester
Technical Specifications
| Molecular Formula | C16H25NO2 |
| Molecular Weight | 263.18854 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 263.18854 Da |
| Heavy Atoms | 19 |
| Complexity | 247.0 |
| SMILES | CCCCC(CC)COC(=O)C1=CC=C(C=C1)NC |
| InChIKey | BJNUBFKLXPUYKI-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 4-(methylamino)-, 2-ethylhexyl ester
Property Insights of Benzoic acid, 4-(methylamino)-, 2-ethylhexyl ester
The XLogP value of 4.9 indicates that Benzoic acid, 4-(methylamino)-, 2-ethylhexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Benzoic acid, 4-(methylamino)-, 2-ethylhexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(methylamino)-, 2-ethylhexyl 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, 4-(methylamino)-, 2-ethylhexyl ester?
The CAS number of Benzoic acid, 4-(methylamino)-, 2-ethylhexyl ester is 158576-31-9.
What is the molecular formula of Benzoic acid, 4-(methylamino)-, 2-ethylhexyl ester?
The molecular formula of Benzoic acid, 4-(methylamino)-, 2-ethylhexyl ester is C16H25NO2.
What is the molecular weight of Benzoic acid, 4-(methylamino)-, 2-ethylhexyl ester?
The molecular weight of Benzoic acid, 4-(methylamino)-, 2-ethylhexyl ester is 263.18854 g/mol.
Where can I buy Benzoic acid, 4-(methylamino)-, 2-ethylhexyl ester?
You can request a quote for Benzoic acid, 4-(methylamino)-, 2-ethylhexyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-(methylamino)-, 2-ethylhexyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-(methylamino)-, 2-ethylhexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.