甲基苯羟乙胺溴化物
TL;DR: 甲基苯羟乙胺溴化物 (CAS 3166-62-9) is a chemical compound with molecular formula C21H28BrNO3 and molecular weight 421.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲基苯羟乙胺溴化物
diethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-methylazanium bromide
Also Known As: methylbenactyzium bromide, Gastrimade, Igsain, Noinarin, Paragone
| Molecular Formula | C21H28BrNO3 |
|---|---|
| Molecular Weight | 421.13 g/mol |
| LogP | -0.04 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 421.12527 |
| Heavy Atoms | 26 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 3166-62-9 |
|---|---|
| SMILES | CC[N+](C)(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.[Br-] |
| InChIKey | DKMVJQCQTCLYIF-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲基苯羟乙胺溴化物 (CAS 3166-62-9), with molecular formula C21H28BrNO3 and molecular weight 421.13 g/mol. IUPAC: diethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-methylazanium bromide.
Chemical Property Profile of 甲基苯羟乙胺溴化物
Property Insights of 甲基苯羟乙胺溴化物
The XLogP value of -0.04 indicates that 甲基苯羟乙胺溴化物 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.5 Ų, 甲基苯羟乙胺溴化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲基苯羟乙胺溴化物 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 甲基苯羟乙胺溴化物?
The CAS number of 甲基苯羟乙胺溴化物 is 3166-62-9.
What is the molecular formula of 甲基苯羟乙胺溴化物?
The molecular formula of 甲基苯羟乙胺溴化物 is C21H28BrNO3.
What is the molecular weight of 甲基苯羟乙胺溴化物?
The molecular weight of 甲基苯羟乙胺溴化物 is 421.13 g/mol.
Where can I buy 甲基苯羟乙胺溴化物?
You can request a quote for 甲基苯羟乙胺溴化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲基苯羟乙胺溴化物?
Yes, KEHONG BIO provides custom synthesis services for 甲基苯羟乙胺溴化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.