Benzoic acid, 4-amino-2-(hexyloxy)-, 3-piperidinopropyl ester, monohydrochloride
TL;DR: Benzoic acid, 4-amino-2-(hexyloxy)-, 3-piperidinopropyl ester, monohydrochloride (CAS 100811-90-3) is a chemical compound with molecular formula C21H35ClN2O3 and molecular weight 398.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-piperidin-1-ium-1-ylpropyl 4-amino-2-hexoxybenzoate chloride
Also Known As: WIN 4070, 4-Amino-2-(hexyloxy)benzoic acid 3-piperidinopropyl ester hydrochloride, 3-piperidin-1-ium-1-ylpropyl 4-amino-2-hexoxybenzoate chloride, BENZOIC ACID, 4-AMINO-2-(HEXYLOXY)-, 3-PIPERIDINOPROPYL ESTER, MONOHYDROCHLORIDE, 1-(3-{[4-amino-2-(hexyloxy)benzoyl]oxy}propyl)piperidinium chloride
| Molecular Formula | C21H35ClN2O3 |
|---|---|
| Molecular Weight | 398.23 g/mol |
| LogP | -0.15 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 398.2336 |
| Heavy Atoms | 27 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 100811-90-3 |
|---|---|
| SMILES | CCCCCCOC1=C(C=CC(=C1)N)C(=O)OCCC[NH+]2CCCCC2.[Cl-] |
| InChIKey | MWFMJWOPUOBJII-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-amino-2-(hexyloxy)-, 3-piperidinopropyl ester, monohydrochloride (CAS 100811-90-3), with molecular formula C21H35ClN2O3 and molecular weight 398.23 g/mol. IUPAC: 3-piperidin-1-ium-1-ylpropyl 4-amino-2-hexoxybenzoate chloride.
Chemical Property Profile of Benzoic acid, 4-amino-2-(hexyloxy)-, 3-piperidinopropyl ester, monohydrochloride
Property Insights of Benzoic acid, 4-amino-2-(hexyloxy)-, 3-piperidinopropyl ester, monohydrochloride
The XLogP value of -0.15 indicates that Benzoic acid, 4-amino-2-(hexyloxy)-, 3-piperidinopropyl 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, 4-amino-2-(hexyloxy)-, 3-piperidinopropyl ester, monohydrochloride. Following Lipinski's Rule of Five, Benzoic acid, 4-amino-2-(hexyloxy)-, 3-piperidinopropyl 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
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-amino-2-(hexyloxy)-, 3-piperidinopropyl ester, monohydrochloride?
The CAS number of Benzoic acid, 4-amino-2-(hexyloxy)-, 3-piperidinopropyl ester, monohydrochloride is 100811-90-3.
What is the molecular formula of Benzoic acid, 4-amino-2-(hexyloxy)-, 3-piperidinopropyl ester, monohydrochloride?
The molecular formula of Benzoic acid, 4-amino-2-(hexyloxy)-, 3-piperidinopropyl ester, monohydrochloride is C21H35ClN2O3.
What is the molecular weight of Benzoic acid, 4-amino-2-(hexyloxy)-, 3-piperidinopropyl ester, monohydrochloride?
The molecular weight of Benzoic acid, 4-amino-2-(hexyloxy)-, 3-piperidinopropyl ester, monohydrochloride is 398.23 g/mol.
Where can I buy Benzoic acid, 4-amino-2-(hexyloxy)-, 3-piperidinopropyl ester, monohydrochloride?
You can request a quote for Benzoic acid, 4-amino-2-(hexyloxy)-, 3-piperidinopropyl ester, monohydrochloride 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-(hexyloxy)-, 3-piperidinopropyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-amino-2-(hexyloxy)-, 3-piperidinopropyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.