RefChem:1084706
TL;DR: RefChem:1084706 (CAS 95133-58-7) 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.
ethyl 1-phenacyl-4-phenylpiperidin-1-ium-4-carboxylate chloride
Also Known As: 1-Phenacyl-4-phenylisonipecotic acid ethyl ester hydrochloride, ethyl 1-phenacyl-4-phenylpiperidin-1-ium-4-carboxylate chloride, ISONIPECOTIC ACID, 1-PHENACYL-4-PHENYL-, ETHYL ESTER, HYDROCHLORIDE, Ethyl 1-(2-oxo-2-phenylethyl)-4-phenylpiperidine-4-carboxylate--hydrogen chloride (1/1), VUFB2352, 1-Phenacyl-4-phenylisonipecotic acid ethyl ester hydrochloride, ISONIPECOTIC ACID, 1-PHENACYL-4-PHENYL-, ETHYL ESTER, HYDROCHLORIDE, 95133-58-7, AC1L1LUJ, LS-85136, ethyl 1-phenacyl-4-phenylpiperidin-1-ium-4-carboxylate chloride, 4-(ethoxycarbonyl)-1-(2-oxo-2-phenylethyl)-4-phenylpiperidinium chloride
| Molecular Formula | C22H26ClNO3 |
|---|---|
| Molecular Weight | 387.16 g/mol |
| LogP | -0.95 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 387.16013 |
| Heavy Atoms | 27 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 95133-58-7 |
|---|---|
| SMILES | CCOC(=O)C1(CC[NH+](CC1)CC(=O)C2=CC=CC=C2)C3=CC=CC=C3.[Cl-] |
| InChIKey | FXBPCNMDKPSAOF-UHFFFAOYSA-N |
Product Overview
RefChem:1084706 (CAS 95133-58-7), with molecular formula C22H26ClNO3 and molecular weight 387.16 g/mol. IUPAC: ethyl 1-phenacyl-4-phenylpiperidin-1-ium-4-carboxylate chloride.
Chemical Property Profile of RefChem:1084706
Property Insights of RefChem:1084706
The XLogP value of -0.95 indicates that RefChem:1084706 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:1084706 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1084706 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:1084706?
The CAS number of RefChem:1084706 is 95133-58-7.
What is the molecular formula of RefChem:1084706?
The molecular formula of RefChem:1084706 is C22H26ClNO3.
What is the molecular weight of RefChem:1084706?
The molecular weight of RefChem:1084706 is 387.16 g/mol.
Where can I buy RefChem:1084706?
You can request a quote for RefChem:1084706 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084706?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084706 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.