4-Cyclohexyl-N,N-diethyl-4-hydroxy-N-methyl-4-phenylbut-2-yn-1-aminium bromide
TL;DR: 4-Cyclohexyl-N,N-diethyl-4-hydroxy-N-methyl-4-phenylbut-2-yn-1-aminium bromide (CAS 2110-44-3) is a chemical compound with molecular formula C21H32BrNO and molecular weight 393.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyclohexyl-4-hydroxy-4-phenylbut-2-ynyl)-diethyl-methylazanium bromide
Also Known As: (4-Cyclohexyl-4-hydroxy-4-phenyl-2-butynyl)diethylmethylammonium bromide, 2-Butyn-1-aminium, 4-cyclohexyl-N,N-diethyl-4-hydroxy-N-methyl-4-phenyl-, bromide, 4-Cyclohexyl-N,N-diethyl-4-hydroxy-N-methyl-4-phenylbut-2-yn-1-aminium bromide, AMMONIUM, (4-CYCLOHEXYL-4-HYDROXY-4-PHENYL-2-BUTYNYL)DIETHYLMETHYL-, BROMIDE, (4-cyclohexyl-4-hydroxy-4-phenylbut-2-ynyl)-diethyl-methylazanium bromide
| Molecular Formula | C21H32BrNO |
|---|---|
| Molecular Weight | 393.17 g/mol |
| LogP | 0.95 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.16672 |
| Heavy Atoms | 24 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 2110-44-3 |
|---|---|
| SMILES | CC[N+](C)(CC)CC#CC(C1CCCCC1)(C2=CC=CC=C2)O.[Br-] |
| InChIKey | ONJDEBPQOLJIOJ-UHFFFAOYSA-M |
Product Overview
4-Cyclohexyl-N,N-diethyl-4-hydroxy-N-methyl-4-phenylbut-2-yn-1-aminium bromide (CAS 2110-44-3), with molecular formula C21H32BrNO and molecular weight 393.17 g/mol. IUPAC: (4-cyclohexyl-4-hydroxy-4-phenylbut-2-ynyl)-diethyl-methylazanium bromide.
Chemical Property Profile of 4-Cyclohexyl-N,N-diethyl-4-hydroxy-N-methyl-4-phenylbut-2-yn-1-aminium bromide
Property Insights of 4-Cyclohexyl-N,N-diethyl-4-hydroxy-N-methyl-4-phenylbut-2-yn-1-aminium bromide
The XLogP value of 0.95 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyclohexyl-N,N-diethyl-4-hydroxy-N-methyl-4-phenylbut-2-yn-1-aminium bromide. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Cyclohexyl-N,N-diethyl-4-hydroxy-N-methyl-4-phenylbut-2-yn-1-aminium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyclohexyl-N,N-diethyl-4-hydroxy-N-methyl-4-phenylbut-2-yn-1-aminium bromide has 1 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 4-Cyclohexyl-N,N-diethyl-4-hydroxy-N-methyl-4-phenylbut-2-yn-1-aminium bromide?
The CAS number of 4-Cyclohexyl-N,N-diethyl-4-hydroxy-N-methyl-4-phenylbut-2-yn-1-aminium bromide is 2110-44-3.
What is the molecular formula of 4-Cyclohexyl-N,N-diethyl-4-hydroxy-N-methyl-4-phenylbut-2-yn-1-aminium bromide?
The molecular formula of 4-Cyclohexyl-N,N-diethyl-4-hydroxy-N-methyl-4-phenylbut-2-yn-1-aminium bromide is C21H32BrNO.
What is the molecular weight of 4-Cyclohexyl-N,N-diethyl-4-hydroxy-N-methyl-4-phenylbut-2-yn-1-aminium bromide?
The molecular weight of 4-Cyclohexyl-N,N-diethyl-4-hydroxy-N-methyl-4-phenylbut-2-yn-1-aminium bromide is 393.17 g/mol.
Where can I buy 4-Cyclohexyl-N,N-diethyl-4-hydroxy-N-methyl-4-phenylbut-2-yn-1-aminium bromide?
You can request a quote for 4-Cyclohexyl-N,N-diethyl-4-hydroxy-N-methyl-4-phenylbut-2-yn-1-aminium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyclohexyl-N,N-diethyl-4-hydroxy-N-methyl-4-phenylbut-2-yn-1-aminium bromide?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyclohexyl-N,N-diethyl-4-hydroxy-N-methyl-4-phenylbut-2-yn-1-aminium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.