RefChem:1090466
TL;DR: RefChem:1090466 (CAS 2110-31-8) is a chemical compound with molecular formula C20H25BrN2O and molecular weight 388.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-(4-hydroxy-4-phenyl-4-pyridin-2-ylbut-2-ynyl)-methylazanium bromide
Also Known As: 6-chloro-2-pyridin-4-yl-chromen-4-one, Diethyl(4-hydroxy-4-phenyl-4-(2-pyridyl)-2-butynyl)methylammonium bromide, AMMONIUM, DIETHYL(4-HYDROXY-4-PHENYL-4-(2-PYRIDYL)-2-BUTYNYL)METHYL-, BROMIDE, N,N-Diethyl-4-hydroxy-N-methyl-4-phenyl-4-(pyridin-2-yl)but-2-yn-1-aminium bromide, diethyl-(4-hydroxy-4-phenyl-4-pyridin-2-ylbut-2-ynyl)-methylazanium bromide
| Molecular Formula | C20H25BrN2O |
|---|---|
| Molecular Weight | 388.12 g/mol |
| LogP | -0.19 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.11502 |
| Heavy Atoms | 24 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 2110-31-8 |
|---|---|
| SMILES | CC[N+](C)(CC)CC#CC(C1=CC=CC=C1)(C2=CC=CC=N2)O.[Br-] |
| InChIKey | YTMCJJJPDORKBE-UHFFFAOYSA-M |
Product Overview
RefChem:1090466 (CAS 2110-31-8), with molecular formula C20H25BrN2O and molecular weight 388.12 g/mol. IUPAC: diethyl-(4-hydroxy-4-phenyl-4-pyridin-2-ylbut-2-ynyl)-methylazanium bromide.
Chemical Property Profile of RefChem:1090466
Property Insights of RefChem:1090466
The XLogP value of -0.19 indicates that RefChem:1090466 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.1 Ų, RefChem:1090466 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1090466 has 1 hydrogen bond donor(s) and 3 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:1090466?
The CAS number of RefChem:1090466 is 2110-31-8.
What is the molecular formula of RefChem:1090466?
The molecular formula of RefChem:1090466 is C20H25BrN2O.
What is the molecular weight of RefChem:1090466?
The molecular weight of RefChem:1090466 is 388.12 g/mol.
Where can I buy RefChem:1090466?
You can request a quote for RefChem:1090466 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1090466?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1090466 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.