C20H20BrNO3.ClH
TL;DR: C20H20BrNO3.ClH (CAS 33422-50-3) is a chemical compound with molecular formula C20H21BrClNO3 and molecular weight 437.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzoyl-1-methylpiperidin-1-ium-3-yl) 2-bromobenzoate chloride
Also Known As: (+-)-1-Methyl-3-benzoyl-3-(o-bromobenzoyloxy)piperidine hydrochloride, Benzoic acid, o-bromo-, ester with 3-hydroxy-1-methyl-3-piperidyl phenyl ketone, monohydrochloride, (+-)-, (4-benzoyl-1-methylpiperidin-1-ium-3-yl) 2-bromobenzoate chloride, [4-(Benzoyl)-1-methylpiperidin-1-ium-3-yl]2-bromobenzoate chloride, [4-(benzoyl)-1-methylpiperidin-1-ium-3-yl] 2-bromobenzoate chloride
| Molecular Formula | C20H21BrClNO3 |
|---|---|
| Molecular Weight | 437.04 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.03934 |
| Heavy Atoms | 26 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 33422-50-3 |
|---|---|
| SMILES | C[NH+]1CCC(C(C1)OC(=O)C2=CC=CC=C2Br)C(=O)C3=CC=CC=C3.[Cl-] |
| InChIKey | IAMKWJSQXNEBGU-UHFFFAOYSA-N |
Product Overview
C20H20BrNO3.ClH (CAS 33422-50-3), with molecular formula C20H21BrClNO3 and molecular weight 437.04 g/mol. IUPAC: (4-benzoyl-1-methylpiperidin-1-ium-3-yl) 2-bromobenzoate chloride.
Chemical Property Profile of C20H20BrNO3.ClH
Property Insights of C20H20BrNO3.ClH
The XLogP value of -0.6 indicates that C20H20BrNO3.ClH is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.8 Ų, C20H20BrNO3.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C20H20BrNO3.ClH 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 C20H20BrNO3.ClH?
The CAS number of C20H20BrNO3.ClH is 33422-50-3.
What is the molecular formula of C20H20BrNO3.ClH?
The molecular formula of C20H20BrNO3.ClH is C20H21BrClNO3.
What is the molecular weight of C20H20BrNO3.ClH?
The molecular weight of C20H20BrNO3.ClH is 437.04 g/mol.
Where can I buy C20H20BrNO3.ClH?
You can request a quote for C20H20BrNO3.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H20BrNO3.ClH?
Yes, KEHONG BIO provides custom synthesis services for C20H20BrNO3.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.