Benzoic acid, p-chloro-, 3-(2-methylpiperidino)propyl ester, hydrochloride
TL;DR: Benzoic acid, p-chloro-, 3-(2-methylpiperidino)propyl ester, hydrochloride (CAS 21969-62-0) is a chemical compound with molecular formula C16H23Cl2NO2 and molecular weight 331.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylpiperidin-1-ium-1-yl)propyl 4-chlorobenzoate chloride
Also Known As: p-Chlorobenzoic acid 3-(2-methylpiperidino)propyl ester hydrochloride, BENZOIC ACID, p-CHLORO-, 3-(2-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE, 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-chlorobenzoate chloride, RefChem:1079312
| Molecular Formula | C16H23Cl2NO2 |
|---|---|
| Molecular Weight | 331.11 g/mol |
| LogP | -0.65 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.1106 |
| Heavy Atoms | 21 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 21969-62-0 |
|---|---|
| SMILES | CC1CCCC[NH+]1CCCOC(=O)C2=CC=C(C=C2)Cl.[Cl-] |
| InChIKey | KKMAECIINSWJFQ-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-chloro-, 3-(2-methylpiperidino)propyl ester, hydrochloride (CAS 21969-62-0), with molecular formula C16H23Cl2NO2 and molecular weight 331.11 g/mol. IUPAC: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-chlorobenzoate chloride.
Chemical Property Profile of Benzoic acid, p-chloro-, 3-(2-methylpiperidino)propyl ester, hydrochloride
Property Insights of Benzoic acid, p-chloro-, 3-(2-methylpiperidino)propyl ester, hydrochloride
The XLogP value of -0.65 indicates that Benzoic acid, p-chloro-, 3-(2-methylpiperidino)propyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, Benzoic acid, p-chloro-, 3-(2-methylpiperidino)propyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, p-chloro-, 3-(2-methylpiperidino)propyl ester, hydrochloride has 1 hydrogen bond donor(s) and 3 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, p-chloro-, 3-(2-methylpiperidino)propyl ester, hydrochloride?
The CAS number of Benzoic acid, p-chloro-, 3-(2-methylpiperidino)propyl ester, hydrochloride is 21969-62-0.
What is the molecular formula of Benzoic acid, p-chloro-, 3-(2-methylpiperidino)propyl ester, hydrochloride?
The molecular formula of Benzoic acid, p-chloro-, 3-(2-methylpiperidino)propyl ester, hydrochloride is C16H23Cl2NO2.
What is the molecular weight of Benzoic acid, p-chloro-, 3-(2-methylpiperidino)propyl ester, hydrochloride?
The molecular weight of Benzoic acid, p-chloro-, 3-(2-methylpiperidino)propyl ester, hydrochloride is 331.11 g/mol.
Where can I buy Benzoic acid, p-chloro-, 3-(2-methylpiperidino)propyl ester, hydrochloride?
You can request a quote for Benzoic acid, p-chloro-, 3-(2-methylpiperidino)propyl 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, p-chloro-, 3-(2-methylpiperidino)propyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-chloro-, 3-(2-methylpiperidino)propyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.