3-(3-Benzoylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)
TL;DR: 3-(3-Benzoylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) (CAS 33422-61-6) 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-(3-benzoylpiperidin-1-ium-1-yl)propyl benzoate chloride
Also Known As: (+-)-1-n-Propyl-3-benzoyl-3-benzoyloxypiperidine hydrochloride, 3-(3-benzoylpiperidin-1-ium-1-yl)propyl benzoate chloride, (+-)-3-Hydroxy-1-propyl-3-piperidyl phenyl ketone benzoate (ester) hydrochloride, Ketone, 3-hydroxy-1-propyl-3-piperidyl phenyl, benzoate (ester), hydrochloride, (+-)-, 3-(3-Benzoylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)
| Molecular Formula | C22H26ClNO3 |
|---|---|
| Molecular Weight | 387.16 g/mol |
| LogP | -0.58 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 387.16013 |
| Heavy Atoms | 27 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 33422-61-6 |
|---|---|
| SMILES | C1CC(C[NH+](C1)CCCOC(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3.[Cl-] |
| InChIKey | CHJDWIRVYZLHNF-UHFFFAOYSA-N |
Product Overview
3-(3-Benzoylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) (CAS 33422-61-6), with molecular formula C22H26ClNO3 and molecular weight 387.16 g/mol. IUPAC: 3-(3-benzoylpiperidin-1-ium-1-yl)propyl benzoate chloride.
Chemical Property Profile of 3-(3-Benzoylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)
Property Insights of 3-(3-Benzoylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)
The XLogP value of -0.58 indicates that 3-(3-Benzoylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) 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, 3-(3-Benzoylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Benzoylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) 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 3-(3-Benzoylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)?
The CAS number of 3-(3-Benzoylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) is 33422-61-6.
What is the molecular formula of 3-(3-Benzoylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)?
The molecular formula of 3-(3-Benzoylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) is C22H26ClNO3.
What is the molecular weight of 3-(3-Benzoylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)?
The molecular weight of 3-(3-Benzoylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) is 387.16 g/mol.
Where can I buy 3-(3-Benzoylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)?
You can request a quote for 3-(3-Benzoylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Benzoylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Benzoylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.