2-(5-bromo-2-methoxyphenyl)ethanamine
TL;DR: 2-(5-bromo-2-methoxyphenyl)ethanamine (CAS 149488-99-3) is a chemical compound with molecular formula C14H11BrN6O and molecular weight 358.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(4-bromophenyl)-6-ethyl-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one
Also Known As: 2-(5-bromo-2-methoxyphenyl)ethanamine, NCI60_030248, 8-(4-Bromophenyl)-1-ethyl-1,8-dihydro-4H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidin-4-one, 8-(4-bromophenyl)-1-ethyl-[1,2,4]triazolo[[?]]pyrazolo[[?]]pyrimidin-4-one
| Molecular Formula | C14H11BrN6O |
|---|---|
| Molecular Weight | 358.02 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.01776 |
| Heavy Atoms | 22 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 149488-99-3 |
|---|---|
| SMILES | CCN1C2=C(C=N1)C(=O)N3C(=N2)N(C=N3)C4=CC=C(C=C4)Br |
| InChIKey | JXCXMCBUNMJMKW-UHFFFAOYSA-N |
Product Overview
2-(5-bromo-2-methoxyphenyl)ethanamine (CAS 149488-99-3), with molecular formula C14H11BrN6O and molecular weight 358.02 g/mol. IUPAC: 10-(4-bromophenyl)-6-ethyl-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one.
Chemical Property Profile of 2-(5-bromo-2-methoxyphenyl)ethanamine
Property Insights of 2-(5-bromo-2-methoxyphenyl)ethanamine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-bromo-2-methoxyphenyl)ethanamine. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-bromo-2-methoxyphenyl)ethanamine. Following Lipinski's Rule of Five, 2-(5-bromo-2-methoxyphenyl)ethanamine has 0 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 2-(5-bromo-2-methoxyphenyl)ethanamine?
The CAS number of 2-(5-bromo-2-methoxyphenyl)ethanamine is 149488-99-3.
What is the molecular formula of 2-(5-bromo-2-methoxyphenyl)ethanamine?
The molecular formula of 2-(5-bromo-2-methoxyphenyl)ethanamine is C14H11BrN6O.
What is the molecular weight of 2-(5-bromo-2-methoxyphenyl)ethanamine?
The molecular weight of 2-(5-bromo-2-methoxyphenyl)ethanamine is 358.02 g/mol.
Where can I buy 2-(5-bromo-2-methoxyphenyl)ethanamine?
You can request a quote for 2-(5-bromo-2-methoxyphenyl)ethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-bromo-2-methoxyphenyl)ethanamine?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-bromo-2-methoxyphenyl)ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.