Benzoic acid, 4-amino-2-ethoxy-, 3-piperidinopropyl ester, dihydrochloride
TL;DR: Benzoic acid, 4-amino-2-ethoxy-, 3-piperidinopropyl ester, dihydrochloride (CAS 100811-88-9) is a chemical compound with molecular formula C17H28Cl2N2O3 and molecular weight 378.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-ethoxy-4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)phenyl]azanium dichloride
Also Known As: WIN 3443, 4-Amino-2-ethoxybenzoic acid 3-piperidinopropyl ester dihydrochloride, 3-piperidin-1-ylpropyl4-amino-2-ethoxybenzoate, BENZOIC ACID, 4-AMINO-2-ETHOXY-, 3-PIPERIDINOPROPYL ESTER, DIHYDROCHLORIDE, 1-{3-[(4-ammonio-2-ethoxybenzoyl)oxy]propyl}piperidinium dichloride
| Molecular Formula | C17H28Cl2N2O3 |
|---|---|
| Molecular Weight | 378.15 g/mol |
| LogP | -5.42 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 378.1477 |
| Heavy Atoms | 24 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 100811-88-9 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)[NH3+])C(=O)OCCC[NH+]2CCCCC2.[Cl-].[Cl-] |
| InChIKey | XFSSXIUFZOFTNX-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-amino-2-ethoxy-, 3-piperidinopropyl ester, dihydrochloride (CAS 100811-88-9), with molecular formula C17H28Cl2N2O3 and molecular weight 378.15 g/mol. IUPAC: [3-ethoxy-4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)phenyl]azanium dichloride.
Chemical Property Profile of Benzoic acid, 4-amino-2-ethoxy-, 3-piperidinopropyl ester, dihydrochloride
Property Insights of Benzoic acid, 4-amino-2-ethoxy-, 3-piperidinopropyl ester, dihydrochloride
The XLogP value of -5.42 indicates that Benzoic acid, 4-amino-2-ethoxy-, 3-piperidinopropyl 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-ethoxy-, 3-piperidinopropyl ester, dihydrochloride. Following Lipinski's Rule of Five, Benzoic acid, 4-amino-2-ethoxy-, 3-piperidinopropyl 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
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-amino-2-ethoxy-, 3-piperidinopropyl ester, dihydrochloride?
The CAS number of Benzoic acid, 4-amino-2-ethoxy-, 3-piperidinopropyl ester, dihydrochloride is 100811-88-9.
What is the molecular formula of Benzoic acid, 4-amino-2-ethoxy-, 3-piperidinopropyl ester, dihydrochloride?
The molecular formula of Benzoic acid, 4-amino-2-ethoxy-, 3-piperidinopropyl ester, dihydrochloride is C17H28Cl2N2O3.
What is the molecular weight of Benzoic acid, 4-amino-2-ethoxy-, 3-piperidinopropyl ester, dihydrochloride?
The molecular weight of Benzoic acid, 4-amino-2-ethoxy-, 3-piperidinopropyl ester, dihydrochloride is 378.15 g/mol.
Where can I buy Benzoic acid, 4-amino-2-ethoxy-, 3-piperidinopropyl ester, dihydrochloride?
You can request a quote for Benzoic acid, 4-amino-2-ethoxy-, 3-piperidinopropyl ester, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-amino-2-ethoxy-, 3-piperidinopropyl ester, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-amino-2-ethoxy-, 3-piperidinopropyl ester, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.