Benzoic acid, 2-(2-(2-methylpiperidino)ethoxy)ethyl ester, hydrochloride
TL;DR: Benzoic acid, 2-(2-(2-methylpiperidino)ethoxy)ethyl ester, hydrochloride (CAS 67070-22-8) is a chemical compound with molecular formula C17H26ClNO3 and molecular weight 327.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-methylpiperidin-1-ium-1-yl)ethoxy]ethyl benzoate chloride
Also Known As: BENZOIC ACID, 2-(2-(2-METHYLPIPERIDINO)ETHOXY)ETHYL ESTER, HYDROCHLORIDE, 2-[2-(2-methylpiperidin-1-ium-1-yl)ethoxy]ethyl benzoate chloride, Ethanol, 2-[2-(2-methyl-1-piperidinyl)ethoxy]-, benzoate (ester), hydrochloride, RefChem:326744
| Molecular Formula | C17H26ClNO3 |
|---|---|
| Molecular Weight | 327.16 g/mol |
| LogP | -1.68 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 327.16013 |
| Heavy Atoms | 22 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 67070-22-8 |
|---|---|
| SMILES | CC1CCCC[NH+]1CCOCCOC(=O)C2=CC=CC=C2.[Cl-] |
| InChIKey | VPAXORMBYQUNRN-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-(2-(2-methylpiperidino)ethoxy)ethyl ester, hydrochloride (CAS 67070-22-8), with molecular formula C17H26ClNO3 and molecular weight 327.16 g/mol. IUPAC: 2-[2-(2-methylpiperidin-1-ium-1-yl)ethoxy]ethyl benzoate chloride.
Chemical Property Profile of Benzoic acid, 2-(2-(2-methylpiperidino)ethoxy)ethyl ester, hydrochloride
Property Insights of Benzoic acid, 2-(2-(2-methylpiperidino)ethoxy)ethyl ester, hydrochloride
The XLogP value of -1.68 indicates that Benzoic acid, 2-(2-(2-methylpiperidino)ethoxy)ethyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.0 Ų, Benzoic acid, 2-(2-(2-methylpiperidino)ethoxy)ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-(2-(2-methylpiperidino)ethoxy)ethyl ester, hydrochloride has 1 hydrogen bond donor(s) and 4 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, 2-(2-(2-methylpiperidino)ethoxy)ethyl ester, hydrochloride?
The CAS number of Benzoic acid, 2-(2-(2-methylpiperidino)ethoxy)ethyl ester, hydrochloride is 67070-22-8.
What is the molecular formula of Benzoic acid, 2-(2-(2-methylpiperidino)ethoxy)ethyl ester, hydrochloride?
The molecular formula of Benzoic acid, 2-(2-(2-methylpiperidino)ethoxy)ethyl ester, hydrochloride is C17H26ClNO3.
What is the molecular weight of Benzoic acid, 2-(2-(2-methylpiperidino)ethoxy)ethyl ester, hydrochloride?
The molecular weight of Benzoic acid, 2-(2-(2-methylpiperidino)ethoxy)ethyl ester, hydrochloride is 327.16 g/mol.
Where can I buy Benzoic acid, 2-(2-(2-methylpiperidino)ethoxy)ethyl ester, hydrochloride?
You can request a quote for Benzoic acid, 2-(2-(2-methylpiperidino)ethoxy)ethyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-(2-(2-methylpiperidino)ethoxy)ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-(2-(2-methylpiperidino)ethoxy)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.