α-氨基-3,4-二氧代-1,5-环己二烯-1-丙酸
TL;DR: α-氨基-3,4-二氧代-1,5-环己二烯-1-丙酸 (CAS 4430-97-1) 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.
α-氨基-3,4-二氧代-1,5-环己二烯-1-丙酸
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
| 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 | 4430-97-1 |
|---|---|
| SMILES | C1=CC(=O)C(=O)C=C1CC(C(=O)O)N |
| InChIKey | AHMIDUVKSGCHAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
α-氨基-3,4-二氧代-1,5-环己二烯-1-丙酸 (CAS 4430-97-1), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: 2-amino-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)propanoic acid.
Chemical Property Profile of α-氨基-3,4-二氧代-1,5-环己二烯-1-丙酸
Property Insights of α-氨基-3,4-二氧代-1,5-环己二烯-1-丙酸
The XLogP value of -3.4 indicates that α-氨基-3,4-二氧代-1,5-环己二烯-1-丙酸 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 α-氨基-3,4-二氧代-1,5-环己二烯-1-丙酸. Following Lipinski's Rule of Five, α-氨基-3,4-二氧代-1,5-环己二烯-1-丙酸 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 α-氨基-3,4-二氧代-1,5-环己二烯-1-丙酸?
The CAS number of α-氨基-3,4-二氧代-1,5-环己二烯-1-丙酸 is 4430-97-1.
What is the molecular formula of α-氨基-3,4-二氧代-1,5-环己二烯-1-丙酸?
The molecular formula of α-氨基-3,4-二氧代-1,5-环己二烯-1-丙酸 is C9H9NO4.
What is the molecular weight of α-氨基-3,4-二氧代-1,5-环己二烯-1-丙酸?
The molecular weight of α-氨基-3,4-二氧代-1,5-环己二烯-1-丙酸 is 195.05 g/mol.
Where can I buy α-氨基-3,4-二氧代-1,5-环己二烯-1-丙酸?
You can request a quote for α-氨基-3,4-二氧代-1,5-环己二烯-1-丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-氨基-3,4-二氧代-1,5-环己二烯-1-丙酸?
Yes, KEHONG BIO provides custom synthesis services for α-氨基-3,4-二氧代-1,5-环己二烯-1-丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.