alpha-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid
TL;DR: alpha-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid (CAS 4430-97-1) is a chemical compound with molecular formula C9H9NO4 and molecular weight 195.05316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)propanoic acid
Also Known As: L-dopaquinone, dopaquinone, DL-dopaquinone, o-Dopaquinone, (RS)-dopaquinone
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9NO4 |
| Molecular Weight | 195.05316 g/mol |
| XLogP | -3.4 |
| Topological Polar Surface Area (TPSA) | 97.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.05316 Da |
| Heavy Atoms | 14 |
| Complexity | 354.0 |
| SMILES | C1=CC(=O)C(=O)C=C1CC(C(=O)O)N |
| InChIKey | AHMIDUVKSGCHAU-UHFFFAOYSA-N |
Product Description
Applications: alpha-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid is used in peptide synthesis and amino acid derivative chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
alpha-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid is a amino acid derivative identified by CAS number 4430-97-1 and the molecular formula C9H9NO4 and a molecular weight of 195.05 g/mol. Synonyms include L-dopaquinone and dopaquinone.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of alpha-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid
Property Insights of alpha-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid
The XLogP value of -3.4 indicates that alpha-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid 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 alpha-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid. Following Lipinski's Rule of Five, alpha-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid 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
What is the CAS number of alpha-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid?
The CAS number of alpha-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid is 4430-97-1.
What is the molecular formula of alpha-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid?
The molecular formula of alpha-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid is C9H9NO4.
What is the molecular weight of alpha-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid?
The molecular weight of alpha-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid is 195.05316 g/mol.
What are the applications of alpha-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid?
alpha-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid is used in peptide synthesis and amino acid derivative chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with...
Where can I buy alpha-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid?
You can request a quote for alpha-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for alpha-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid?
Yes, CoreyChem provides custom synthesis services for alpha-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.