RefChem:1067362
TL;DR: RefChem:1067362 (CAS 33422-58-1) is a chemical compound with molecular formula C20H22Cl2N2O3 and molecular weight 408.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzoyl-1-methylpiperidin-1-ium-3-yl) 4-amino-2-chlorobenzoate chloride
Also Known As: (+-)-1-Methyl-3-benzoyl-3-(o-chloro-p-aminobenzoyloxy)piperidine hydrochloride, Benzoic acid, 4-amino-2-chloro-, ester with 3-hydroxy-1-methyl-3-piperidyl phenyl ketone, monohydrochloride, (+-)-, (3-benzoyl-1-methylpiperidin-1-ium-3-yl) 4-amino-2-chlorobenzoate chloride, [3-(Benzoyl)-1-methylpiperidin-1-ium-3-yl]4-amino-2-chlorobenzoatechloride, [3-(benzoyl)-1-methylpiperidin-1-ium-3-yl] 4-amino-2-chlorobenzoatechloride
| Molecular Formula | C20H22Cl2N2O3 |
|---|---|
| Molecular Weight | 408.10 g/mol |
| LogP | -0.99 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.10074 |
| Heavy Atoms | 27 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 33422-58-1 |
|---|---|
| SMILES | C[NH+]1CCCC(C1)(C(=O)C2=CC=CC=C2)OC(=O)C3=C(C=C(C=C3)N)Cl.[Cl-] |
| InChIKey | MLDRGBDROVDETR-UHFFFAOYSA-N |
Product Overview
RefChem:1067362 (CAS 33422-58-1), with molecular formula C20H22Cl2N2O3 and molecular weight 408.10 g/mol. IUPAC: (3-benzoyl-1-methylpiperidin-1-ium-3-yl) 4-amino-2-chlorobenzoate chloride.
Chemical Property Profile of RefChem:1067362
Property Insights of RefChem:1067362
The XLogP value of -0.99 indicates that RefChem:1067362 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1067362. Following Lipinski's Rule of Five, RefChem:1067362 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 RefChem:1067362?
The CAS number of RefChem:1067362 is 33422-58-1.
What is the molecular formula of RefChem:1067362?
The molecular formula of RefChem:1067362 is C20H22Cl2N2O3.
What is the molecular weight of RefChem:1067362?
The molecular weight of RefChem:1067362 is 408.10 g/mol.
Where can I buy RefChem:1067362?
You can request a quote for RefChem:1067362 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1067362?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1067362 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.