Benzoic acid, 5-amino-2-(3-piperidinopropoxy)-, ethyl ester, monohydrochloride
TL;DR: Benzoic acid, 5-amino-2-(3-piperidinopropoxy)-, ethyl ester, monohydrochloride (CAS 100311-11-3) is a chemical compound with molecular formula C17H27ClN2O3 and molecular weight 342.17102 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-amino-2-(3-piperidin-1-ium-1-ylpropoxy)benzoate chloride
Also Known As: 5-Amino-2-(3-piperidinopropoxy)benzoic acid ethyl ester hydrochloride, BENZOIC ACID, 5-AMINO-2-(3-PIPERIDINOPROPOXY)-, ETHYL ESTER, MONOHYDROCHLORIDE, 1-{3-[4-amino-2-(ethoxycarbonyl)phenoxy]propyl}piperidiniumchloride, ethyl 5-amino-2-(3-piperidin-1-ium-1-ylpropoxy)benzoate chloride, ethyl 5-amino-2-(3-piperidin-1-ium-1-ylpropoxy)benzoate,chloride
Technical Specifications
| Molecular Formula | C17H27ClN2O3 |
| Molecular Weight | 342.17102 g/mol |
| XLogP | -1.71 |
| Topological Polar Surface Area (TPSA) | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 342.17102 Da |
| Heavy Atoms | 23 |
| Complexity | 332.0 |
| SMILES | CCOC(=O)C1=C(C=CC(=C1)N)OCCC[NH+]2CCCCC2.[Cl-] |
| InChIKey | LHHKNRDKDISVNO-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 5-amino-2-(3-piperidinopropoxy)-, ethyl ester, monohydrochloride
Property Insights of Benzoic acid, 5-amino-2-(3-piperidinopropoxy)-, ethyl ester, monohydrochloride
The XLogP value of -1.71 indicates that Benzoic acid, 5-amino-2-(3-piperidinopropoxy)-, ethyl ester, monohydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 5-amino-2-(3-piperidinopropoxy)-, ethyl ester, monohydrochloride. Following Lipinski's Rule of Five, Benzoic acid, 5-amino-2-(3-piperidinopropoxy)-, ethyl ester, monohydrochloride 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, 5-amino-2-(3-piperidinopropoxy)-, ethyl ester, monohydrochloride?
The CAS number of Benzoic acid, 5-amino-2-(3-piperidinopropoxy)-, ethyl ester, monohydrochloride is 100311-11-3.
What is the molecular formula of Benzoic acid, 5-amino-2-(3-piperidinopropoxy)-, ethyl ester, monohydrochloride?
The molecular formula of Benzoic acid, 5-amino-2-(3-piperidinopropoxy)-, ethyl ester, monohydrochloride is C17H27ClN2O3.
What is the molecular weight of Benzoic acid, 5-amino-2-(3-piperidinopropoxy)-, ethyl ester, monohydrochloride?
The molecular weight of Benzoic acid, 5-amino-2-(3-piperidinopropoxy)-, ethyl ester, monohydrochloride is 342.17102 g/mol.
Where can I buy Benzoic acid, 5-amino-2-(3-piperidinopropoxy)-, ethyl ester, monohydrochloride?
You can request a quote for Benzoic acid, 5-amino-2-(3-piperidinopropoxy)-, ethyl ester, monohydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 5-amino-2-(3-piperidinopropoxy)-, ethyl ester, monohydrochloride?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 5-amino-2-(3-piperidinopropoxy)-, ethyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.