Pyrrolidinium, 1-(2-(2-oxo-2-phenylethyl)cyclohexylidene)-, bromide (1:1)
TL;DR: Pyrrolidinium, 1-(2-(2-oxo-2-phenylethyl)cyclohexylidene)-, bromide (1:1) (CAS 71042-76-7) is a chemical compound with molecular formula C18H24BrNO and molecular weight 349.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-2-(2-pyrrolidin-1-ium-1-ylidenecyclohexyl)ethanone bromide
Also Known As: 1-[2-(2-oxo-2-phenylethyl)cyclohexylidene]pyrrolidinium bromide, 2-hydroxy-3-phenoxypropyl 4-methylbenzenesulfonate, N-(2-(2-Oxo-2-phenylethyl)cyclohexylidene)pyrrolidinium bromide, (2-hydroxy-3-phenoxypropyl) 4-methylbenzenesulfonate, Piperazine-1,4-diylbis(di(aziridin-1-yl)phosphine oxide)
| Molecular Formula | C18H24BrNO |
|---|---|
| Molecular Weight | 349.10 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 20.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.10413 |
| Heavy Atoms | 21 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 71042-76-7 |
|---|---|
| SMILES | C1CCC(=[N+]2CCCC2)C(C1)CC(=O)C3=CC=CC=C3.[Br-] |
| InChIKey | NUOPHESULPNELM-UHFFFAOYSA-M |
Product Overview
Pyrrolidinium, 1-(2-(2-oxo-2-phenylethyl)cyclohexylidene)-, bromide (1:1) (CAS 71042-76-7), with molecular formula C18H24BrNO and molecular weight 349.10 g/mol. IUPAC: 1-phenyl-2-(2-pyrrolidin-1-ium-1-ylidenecyclohexyl)ethanone bromide.
Chemical Property Profile of Pyrrolidinium, 1-(2-(2-oxo-2-phenylethyl)cyclohexylidene)-, bromide (1:1)
Property Insights of Pyrrolidinium, 1-(2-(2-oxo-2-phenylethyl)cyclohexylidene)-, bromide (1:1)
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolidinium, 1-(2-(2-oxo-2-phenylethyl)cyclohexylidene)-, bromide (1:1). With a topological polar surface area (TPSA) of 20.1 Ų, Pyrrolidinium, 1-(2-(2-oxo-2-phenylethyl)cyclohexylidene)-, bromide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidinium, 1-(2-(2-oxo-2-phenylethyl)cyclohexylidene)-, bromide (1:1) has 0 hydrogen bond donor(s) and 2 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 Pyrrolidinium, 1-(2-(2-oxo-2-phenylethyl)cyclohexylidene)-, bromide (1:1)?
The CAS number of Pyrrolidinium, 1-(2-(2-oxo-2-phenylethyl)cyclohexylidene)-, bromide (1:1) is 71042-76-7.
What is the molecular formula of Pyrrolidinium, 1-(2-(2-oxo-2-phenylethyl)cyclohexylidene)-, bromide (1:1)?
The molecular formula of Pyrrolidinium, 1-(2-(2-oxo-2-phenylethyl)cyclohexylidene)-, bromide (1:1) is C18H24BrNO.
What is the molecular weight of Pyrrolidinium, 1-(2-(2-oxo-2-phenylethyl)cyclohexylidene)-, bromide (1:1)?
The molecular weight of Pyrrolidinium, 1-(2-(2-oxo-2-phenylethyl)cyclohexylidene)-, bromide (1:1) is 349.10 g/mol.
Where can I buy Pyrrolidinium, 1-(2-(2-oxo-2-phenylethyl)cyclohexylidene)-, bromide (1:1)?
You can request a quote for Pyrrolidinium, 1-(2-(2-oxo-2-phenylethyl)cyclohexylidene)-, bromide (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidinium, 1-(2-(2-oxo-2-phenylethyl)cyclohexylidene)-, bromide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidinium, 1-(2-(2-oxo-2-phenylethyl)cyclohexylidene)-, bromide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.