1,2,4-Benzenetriol, 5-(2-aminoethyl)-, hydrobromide (1:1)
TL;DR: 1,2,4-Benzenetriol, 5-(2-aminoethyl)-, hydrobromide (1:1) (CAS 636-00-0) is a chemical compound with molecular formula C8H12BrNO3 and molecular weight 249.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-aminoethyl)benzene-1,2,4-triol;hydrobromide
Also Known As: 6-Hydroxydopamine hydrobromide, Oxidopamine hydrobromide, 6-hydroxydopamine hbr, oxidopamine, Oxidopamine (hydrobromide)
| Molecular Formula | C8H12BrNO3 |
|---|---|
| Molecular Weight | 249.00 g/mol |
| LogP | 0.8825 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.00006 |
| Heavy Atoms | 13 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 636-00-0 |
|---|---|
| SMILES | C1=C(C(=CC(=C1O)O)O)CCN.Br |
| InChIKey | MLACDGUOKDOLGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-Benzenetriol, 5-(2-aminoethyl)-, hydrobromide (1:1) (CAS 636-00-0), with molecular formula C8H12BrNO3 and molecular weight 249.00 g/mol. IUPAC: 5-(2-aminoethyl)benzene-1,2,4-triol;hydrobromide.
Chemical Property Profile of 1,2,4-Benzenetriol, 5-(2-aminoethyl)-, hydrobromide (1:1)
Property Insights of 1,2,4-Benzenetriol, 5-(2-aminoethyl)-, hydrobromide (1:1)
The XLogP value of 0.8825 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Benzenetriol, 5-(2-aminoethyl)-, hydrobromide (1:1). The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Benzenetriol, 5-(2-aminoethyl)-, hydrobromide (1:1). Following Lipinski's Rule of Five, 1,2,4-Benzenetriol, 5-(2-aminoethyl)-, hydrobromide (1:1) has 5 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 1,2,4-Benzenetriol, 5-(2-aminoethyl)-, hydrobromide (1:1)?
The CAS number of 1,2,4-Benzenetriol, 5-(2-aminoethyl)-, hydrobromide (1:1) is 636-00-0.
What is the molecular formula of 1,2,4-Benzenetriol, 5-(2-aminoethyl)-, hydrobromide (1:1)?
The molecular formula of 1,2,4-Benzenetriol, 5-(2-aminoethyl)-, hydrobromide (1:1) is C8H12BrNO3.
What is the molecular weight of 1,2,4-Benzenetriol, 5-(2-aminoethyl)-, hydrobromide (1:1)?
The molecular weight of 1,2,4-Benzenetriol, 5-(2-aminoethyl)-, hydrobromide (1:1) is 249.00 g/mol.
Where can I buy 1,2,4-Benzenetriol, 5-(2-aminoethyl)-, hydrobromide (1:1)?
You can request a quote for 1,2,4-Benzenetriol, 5-(2-aminoethyl)-, hydrobromide (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Benzenetriol, 5-(2-aminoethyl)-, hydrobromide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Benzenetriol, 5-(2-aminoethyl)-, hydrobromide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.