1,2(4)-Topaminequinone
TL;DR: 1,2(4)-Topaminequinone (CAS 41596-66-1) is a chemical compound with molecular formula C8H9NO3 and molecular weight 167.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-aminoethyl)-5-hydroxycyclohexa-3,5-diene-1,2-dione
Also Known As: o-Topaminequinone, 1,2-Topaminequinone, 1,2(4)-Topaminequinone, 6-Hydroxydopamine o-quinone, 6-Hydroxydopamine quinone
| Molecular Formula | C8H9NO3 |
|---|---|
| Molecular Weight | 167.06 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.05824 |
| Heavy Atoms | 12 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 41596-66-1 |
|---|---|
| SMILES | C1=C(C(=CC(=O)C1=O)O)CCN |
| InChIKey | LOQIYGRWRPVFQX-UHFFFAOYSA-N |
Product Overview
1,2(4)-Topaminequinone (CAS 41596-66-1), with molecular formula C8H9NO3 and molecular weight 167.06 g/mol. IUPAC: 4-(2-aminoethyl)-5-hydroxycyclohexa-3,5-diene-1,2-dione.
Chemical Property Profile of 1,2(4)-Topaminequinone
Property Insights of 1,2(4)-Topaminequinone
The XLogP value of -1.4 indicates that 1,2(4)-Topaminequinone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2(4)-Topaminequinone. Following Lipinski's Rule of Five, 1,2(4)-Topaminequinone has 2 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)-Topaminequinone?
The CAS number of 1,2(4)-Topaminequinone is 41596-66-1.
What is the molecular formula of 1,2(4)-Topaminequinone?
The molecular formula of 1,2(4)-Topaminequinone is C8H9NO3.
What is the molecular weight of 1,2(4)-Topaminequinone?
The molecular weight of 1,2(4)-Topaminequinone is 167.06 g/mol.
Where can I buy 1,2(4)-Topaminequinone?
You can request a quote for 1,2(4)-Topaminequinone 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)-Topaminequinone?
Yes, KEHONG BIO provides custom synthesis services for 1,2(4)-Topaminequinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.