AI-559/15533021
TL;DR: AI-559/15533021 (CAS 803640-01-9) is a chemical compound with molecular formula C10H6NO4- and molecular weight 204.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxycarbonyl-7-oxocyclopenta[b]pyridin-5-olate
Also Known As: AI-559/15533021, (5,7-dioxocyclopenta[b]pyridin-6-ylidene)-methoxymethanolate, 5H-Cyclopenta[b]pyridine-6-carboxylic acid, 6,7-dihydro-5,7-dioxo-, methyl ester, ion(1-), 6-(Methoxycarbonyl)-5,7-dioxo-6,7-dihydro-5H-cyclopenta[b]pyridin-6-ide
| Molecular Formula | C10H6NO4- |
|---|---|
| Molecular Weight | 204.03 g/mol |
| LogP | -0.4777 |
| Topological Polar Surface Area | 79.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.02968 |
| Heavy Atoms | 15 |
| Complexity | 489.95068 |
Chemical Identifiers
| CAS Number | 803640-01-9 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(C1=O)N=CC=C2)[O-] |
Product Overview
AI-559/15533021 (CAS 803640-01-9), with molecular formula C10H6NO4- and molecular weight 204.03 g/mol. IUPAC: 6-methoxycarbonyl-7-oxocyclopenta[b]pyridin-5-olate.
Chemical Property Profile of AI-559/15533021
Property Insights of AI-559/15533021
The XLogP value of -0.4777 indicates that AI-559/15533021 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.32 Ų falls within the moderate polarity range, balancing permeability and solubility for AI-559/15533021. Following Lipinski's Rule of Five, AI-559/15533021 has 0 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 AI-559/15533021?
The CAS number of AI-559/15533021 is 803640-01-9.
What is the molecular formula of AI-559/15533021?
The molecular formula of AI-559/15533021 is C10H6NO4-.
What is the molecular weight of AI-559/15533021?
The molecular weight of AI-559/15533021 is 204.03 g/mol.
Where can I buy AI-559/15533021?
You can request a quote for AI-559/15533021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI-559/15533021?
Yes, KEHONG BIO provides custom synthesis services for AI-559/15533021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.