Benzoic acid, 4-amino-2-(benzyloxy)-, 3-(diethylamino)propyl ester
TL;DR: Benzoic acid, 4-amino-2-(benzyloxy)-, 3-(diethylamino)propyl ester (CAS 100347-80-6) is a chemical compound with molecular formula C21H28N2O3 and molecular weight 356.21 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(diethylamino)propyl 4-amino-2-phenylmethoxybenzoate
Also Known As: WIN 3712, 4-14-00-01988 (Beilstein Handbook Reference), BENZOIC ACID, 4-AMINO-2-(BENZYLOXY)-, 3-(DIETHYLAMINO)PROPYL ESTER, 4-Amino-2-(benzyloxy)benzoic acid 3-(diethylamino)propyl ester, 3-(diethylamino)propyl 4-amino-2-(benzyloxy)benzoate
Technical Specifications
| Molecular Formula | C21H28N2O3 |
| Molecular Weight | 356.21 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 64.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 356.21 Da |
| Heavy Atoms | 26 |
| Complexity | 395.0 |
| SMILES | CCN(CC)CCCOC(=O)C1=C(C=C(C=C1)N)OCC2=CC=CC=C2 |
| InChIKey | OLFCANPWYBECRH-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 4-amino-2-(benzyloxy)-, 3-(diethylamino)propyl ester
Property Insights of Benzoic acid, 4-amino-2-(benzyloxy)-, 3-(diethylamino)propyl ester
The XLogP value of 3.7 indicates that Benzoic acid, 4-amino-2-(benzyloxy)-, 3-(diethylamino)propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-amino-2-(benzyloxy)-, 3-(diethylamino)propyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-amino-2-(benzyloxy)-, 3-(diethylamino)propyl 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-(benzyloxy)-, 3-(diethylamino)propyl ester?
The CAS number of Benzoic acid, 4-amino-2-(benzyloxy)-, 3-(diethylamino)propyl ester is 100347-80-6.
What is the molecular formula of Benzoic acid, 4-amino-2-(benzyloxy)-, 3-(diethylamino)propyl ester?
The molecular formula of Benzoic acid, 4-amino-2-(benzyloxy)-, 3-(diethylamino)propyl ester is C21H28N2O3.
What is the molecular weight of Benzoic acid, 4-amino-2-(benzyloxy)-, 3-(diethylamino)propyl ester?
The molecular weight of Benzoic acid, 4-amino-2-(benzyloxy)-, 3-(diethylamino)propyl ester is 356.21 g/mol.
Where can I buy Benzoic acid, 4-amino-2-(benzyloxy)-, 3-(diethylamino)propyl ester?
You can request a quote for Benzoic acid, 4-amino-2-(benzyloxy)-, 3-(diethylamino)propyl 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-(benzyloxy)-, 3-(diethylamino)propyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-amino-2-(benzyloxy)-, 3-(diethylamino)propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.