Benzoic acid, 4-amino-2-propoxy-, 3-(diethylamino)propyl ester, dihydrochloride
TL;DR: Benzoic acid, 4-amino-2-propoxy-, 3-(diethylamino)propyl ester, dihydrochloride (CAS 100311-13-5) is a chemical compound with molecular formula C17H30Cl2N2O3 and molecular weight 380.16336 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-azaniumyl-2-propoxybenzoyl)oxypropyl-diethylazanium dichloride
Also Known As: WIN 3699, 4-Amino-2-propoxybenzoic acid 3-(diethylamino)propyl ester dihydrochloride, 3-(4-azaniumyl-2-propoxybenzoyl)oxypropyl-diethylazanium dichloride, BENZOIC ACID, 4-AMINO-2-PROPOXY-, 3-(DIETHYLAMINO)PROPYL ESTER, DIHYDROCHLORIDE, 3-(4-azaniumyl-2-propoxybenzoyl)oxypropyl-diethylazanium
Technical Specifications
| Molecular Formula | C17H30Cl2N2O3 |
| Molecular Weight | 380.16336 g/mol |
| XLogP | -5.17 |
| Topological Polar Surface Area (TPSA) | 67.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 380.16336 Da |
| Heavy Atoms | 24 |
| Complexity | 308.0 |
| SMILES | CCCOC1=C(C=CC(=C1)[NH3+])C(=O)OCCC[NH+](CC)CC.[Cl-].[Cl-] |
| InChIKey | IBCGTOOAMLYCQU-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 4-amino-2-propoxy-, 3-(diethylamino)propyl ester, dihydrochloride
Property Insights of Benzoic acid, 4-amino-2-propoxy-, 3-(diethylamino)propyl ester, dihydrochloride
The XLogP value of -5.17 indicates that Benzoic acid, 4-amino-2-propoxy-, 3-(diethylamino)propyl ester, dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-amino-2-propoxy-, 3-(diethylamino)propyl ester, dihydrochloride. Following Lipinski's Rule of Five, Benzoic acid, 4-amino-2-propoxy-, 3-(diethylamino)propyl ester, dihydrochloride has 2 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-propoxy-, 3-(diethylamino)propyl ester, dihydrochloride?
The CAS number of Benzoic acid, 4-amino-2-propoxy-, 3-(diethylamino)propyl ester, dihydrochloride is 100311-13-5.
What is the molecular formula of Benzoic acid, 4-amino-2-propoxy-, 3-(diethylamino)propyl ester, dihydrochloride?
The molecular formula of Benzoic acid, 4-amino-2-propoxy-, 3-(diethylamino)propyl ester, dihydrochloride is C17H30Cl2N2O3.
What is the molecular weight of Benzoic acid, 4-amino-2-propoxy-, 3-(diethylamino)propyl ester, dihydrochloride?
The molecular weight of Benzoic acid, 4-amino-2-propoxy-, 3-(diethylamino)propyl ester, dihydrochloride is 380.16336 g/mol.
Where can I buy Benzoic acid, 4-amino-2-propoxy-, 3-(diethylamino)propyl ester, dihydrochloride?
You can request a quote for Benzoic acid, 4-amino-2-propoxy-, 3-(diethylamino)propyl ester, dihydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-amino-2-propoxy-, 3-(diethylamino)propyl ester, dihydrochloride?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-amino-2-propoxy-, 3-(diethylamino)propyl ester, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.