Benzoic acid, 4-amino-2-ethoxy-, 2-(dimethylamino)ethyl ester
TL;DR: Benzoic acid, 4-amino-2-ethoxy-, 2-(dimethylamino)ethyl ester (CAS 100800-71-3) is a chemical compound with molecular formula C13H20N2O3 and molecular weight 252.1474 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(dimethylamino)ethyl 4-amino-2-ethoxybenzoate
Also Known As: WIN 3605, 2-(dimethylamino)ethyl 4-amino-2-ethoxybenzoate, 2-dimethylaminoethyl 4-amino-2-ethoxybenzoate, BENZOIC ACID, 4-AMINO-2-ETHOXY-, 2-(DIMETHYLAMINO)ETHYL ESTER, 4-14-00-01986 (Beilstein Handbook Reference)
Technical Specifications
| Molecular Formula | C13H20N2O3 |
| Molecular Weight | 252.1474 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 64.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 252.1474 Da |
| Heavy Atoms | 18 |
| Complexity | 259.0 |
| SMILES | CCOC1=C(C=CC(=C1)N)C(=O)OCCN(C)C |
| InChIKey | SHRVSCQZDGGLLI-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 4-amino-2-ethoxy-, 2-(dimethylamino)ethyl ester
Property Insights of Benzoic acid, 4-amino-2-ethoxy-, 2-(dimethylamino)ethyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-amino-2-ethoxy-, 2-(dimethylamino)ethyl ester. The TPSA of 64.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-amino-2-ethoxy-, 2-(dimethylamino)ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-amino-2-ethoxy-, 2-(dimethylamino)ethyl ester has 1 hydrogen bond donor(s) and 5 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-amino-2-ethoxy-, 2-(dimethylamino)ethyl ester?
The CAS number of Benzoic acid, 4-amino-2-ethoxy-, 2-(dimethylamino)ethyl ester is 100800-71-3.
What is the molecular formula of Benzoic acid, 4-amino-2-ethoxy-, 2-(dimethylamino)ethyl ester?
The molecular formula of Benzoic acid, 4-amino-2-ethoxy-, 2-(dimethylamino)ethyl ester is C13H20N2O3.
What is the molecular weight of Benzoic acid, 4-amino-2-ethoxy-, 2-(dimethylamino)ethyl ester?
The molecular weight of Benzoic acid, 4-amino-2-ethoxy-, 2-(dimethylamino)ethyl ester is 252.1474 g/mol.
Where can I buy Benzoic acid, 4-amino-2-ethoxy-, 2-(dimethylamino)ethyl ester?
You can request a quote for Benzoic acid, 4-amino-2-ethoxy-, 2-(dimethylamino)ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-amino-2-ethoxy-, 2-(dimethylamino)ethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-amino-2-ethoxy-, 2-(dimethylamino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.