L-多巴醌
TL;DR: L-多巴醌 (CAS 25520-73-4) is a chemical compound with molecular formula C9H9NO4 and molecular weight 195.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
L-多巴醌
(2S)-2-amino-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)propanoic acid
Also Known As: dopaquinone, L-dopaquinone, o-Dopaquinone, Levodopa Impurity 12, L-DOPA SEMIQUINONE
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | -3.4 |
| Topological Polar Surface Area | 97.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 25520-73-4 |
|---|---|
| SMILES | C1=CC(=O)C(=O)C=C1C[C@@H](C(=O)O)N |
| InChIKey | AHMIDUVKSGCHAU-LURJTMIESA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
L-多巴醌 (CAS 25520-73-4), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: (2S)-2-amino-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)propanoic acid.
Chemical Property Profile of L-多巴醌
Property Insights of L-多巴醌
The XLogP value of -3.4 indicates that L-多巴醌 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.5 Ų falls within the moderate polarity range, balancing permeability and solubility for L-多巴醌. Following Lipinski's Rule of Five, L-多巴醌 has 2 hydrogen bond donor(s) and 5 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 L-多巴醌?
The CAS number of L-多巴醌 is 25520-73-4.
What is the molecular formula of L-多巴醌?
The molecular formula of L-多巴醌 is C9H9NO4.
What is the molecular weight of L-多巴醌?
The molecular weight of L-多巴醌 is 195.05 g/mol.
Where can I buy L-多巴醌?
You can request a quote for L-多巴醌 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-多巴醌?
Yes, KEHONG BIO provides custom synthesis services for L-多巴醌 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.