RefChem:1088001
TL;DR: RefChem:1088001 (CAS 33422-64-9) is a chemical compound with molecular formula C22H26ClNO3 and molecular weight 387.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzoyl-1-propan-2-ylpiperidin-1-ium-3-yl) benzoate chloride
Also Known As: (+-)-1-Isopropyl-3-benzoyl-3-benzoyloxypiperidine hydrochloride, Ketone, 3-hydroxy-1-isopropyl-3-piperidyl phenyl, benzoate (ester), hydrochloride, (+-)-, (3-benzoyl-1-propan-2-ylpiperidin-1-ium-3-yl) benzoate chloride, (+-)-3-Hydroxy-1-isopropyl-3-piperidyl phenyl ketone benzoate (ester) hydrochloride, (3-Benzoyl-1-propan-2-ylpiperidin-1-ium-3-yl)benzoate chloride
| Molecular Formula | C22H26ClNO3 |
|---|---|
| Molecular Weight | 387.16 g/mol |
| LogP | -0.44 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.16013 |
| Heavy Atoms | 27 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 33422-64-9 |
|---|---|
| SMILES | CC(C)[NH+]1CCCC(C1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3.[Cl-] |
| InChIKey | HTCNYINKTNPFBW-UHFFFAOYSA-N |
Product Overview
RefChem:1088001 (CAS 33422-64-9), with molecular formula C22H26ClNO3 and molecular weight 387.16 g/mol. IUPAC: (3-benzoyl-1-propan-2-ylpiperidin-1-ium-3-yl) benzoate chloride.
Chemical Property Profile of RefChem:1088001
Property Insights of RefChem:1088001
The XLogP value of -0.44 indicates that RefChem:1088001 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, RefChem:1088001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1088001 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 RefChem:1088001?
The CAS number of RefChem:1088001 is 33422-64-9.
What is the molecular formula of RefChem:1088001?
The molecular formula of RefChem:1088001 is C22H26ClNO3.
What is the molecular weight of RefChem:1088001?
The molecular weight of RefChem:1088001 is 387.16 g/mol.
Where can I buy RefChem:1088001?
You can request a quote for RefChem:1088001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1088001?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1088001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.