3-Buten-2-one, 1,1-diphenyl-4-piperidino-, hydrochloride
TL;DR: 3-Buten-2-one, 1,1-diphenyl-4-piperidino-, hydrochloride (CAS 100482-64-2) is a chemical compound with molecular formula C21H24ClNO and molecular weight 341.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1,1-diphenyl-4-piperidin-1-ium-1-ylbut-3-en-2-one chloride
Also Known As: 1,1-Diphenyl-4-piperidino-3-buten-2-one hydrochloride, Piperidino-4 diphenyl-1,1 butene-1 one-3 chlorhydrate [French], 3-BUTEN-2-ONE, 1,1-DIPHENYL-4-PIPERIDINO-, HYDROCHLORIDE, Piperidino-4 diphenyl-1,1 butene-1 one-3 chlorhydrate, (E)-1,1-diphenyl-4-piperidin-1-ium-1-ylbut-3-en-2-one;chloride
| Molecular Formula | C21H24ClNO |
|---|---|
| Molecular Weight | 341.15 g/mol |
| LogP | -0.0259 |
| Topological Polar Surface Area | 21.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.15463 |
| Heavy Atoms | 24 |
| Complexity | 608.55365 |
Chemical Identifiers
| CAS Number | 100482-64-2 |
|---|---|
| SMILES | C1CC[NH+](CC1)/C=C/C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-] |
Product Overview
3-Buten-2-one, 1,1-diphenyl-4-piperidino-, hydrochloride (CAS 100482-64-2), with molecular formula C21H24ClNO and molecular weight 341.15 g/mol. IUPAC: (E)-1,1-diphenyl-4-piperidin-1-ium-1-ylbut-3-en-2-one chloride.
Chemical Property Profile of 3-Buten-2-one, 1,1-diphenyl-4-piperidino-, hydrochloride
Property Insights of 3-Buten-2-one, 1,1-diphenyl-4-piperidino-, hydrochloride
The XLogP value of -0.0259 indicates that 3-Buten-2-one, 1,1-diphenyl-4-piperidino-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 21.51 Ų, 3-Buten-2-one, 1,1-diphenyl-4-piperidino-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-one, 1,1-diphenyl-4-piperidino-, hydrochloride has 1 hydrogen bond donor(s) and 1 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-Buten-2-one, 1,1-diphenyl-4-piperidino-, hydrochloride?
The CAS number of 3-Buten-2-one, 1,1-diphenyl-4-piperidino-, hydrochloride is 100482-64-2.
What is the molecular formula of 3-Buten-2-one, 1,1-diphenyl-4-piperidino-, hydrochloride?
The molecular formula of 3-Buten-2-one, 1,1-diphenyl-4-piperidino-, hydrochloride is C21H24ClNO.
What is the molecular weight of 3-Buten-2-one, 1,1-diphenyl-4-piperidino-, hydrochloride?
The molecular weight of 3-Buten-2-one, 1,1-diphenyl-4-piperidino-, hydrochloride is 341.15 g/mol.
Where can I buy 3-Buten-2-one, 1,1-diphenyl-4-piperidino-, hydrochloride?
You can request a quote for 3-Buten-2-one, 1,1-diphenyl-4-piperidino-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Buten-2-one, 1,1-diphenyl-4-piperidino-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-one, 1,1-diphenyl-4-piperidino-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.