Xanthommatin
TL;DR: Xanthommatin (CAS 521-58-4) is a chemical compound with molecular formula C20H13N3O8 and molecular weight 423.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(3-amino-3-carboxypropanoyl)-1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid
Also Known As: Xanthommatin, Xanthomattin, J3.696.024H, 11-(3-amino-3-carboxypropanoyl)-1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid, 11-(3-amino-3-carboxypropanoyl)-1-hydroxy-5-oxo-5H-pyrido[3,2-a]phenoxazine-3-carboxylic acid
| Molecular Formula | C20H13N3O8 |
|---|---|
| Molecular Weight | 423.07 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.07025 |
| Heavy Atoms | 31 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 521-58-4 |
|---|---|
| SMILES | C1=CC(=C2C(=C1)OC3=CC(=O)C4=C(C3=N2)C(=O)C=C(N4)C(=O)O)C(=O)CC(C(=O)O)N |
| InChIKey | QLAHWTNCEYYDRR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Xanthommatin (CAS 521-58-4), with molecular formula C20H13N3O8 and molecular weight 423.07 g/mol. IUPAC: 11-(3-amino-3-carboxypropanoyl)-1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid.
Chemical Property Profile of Xanthommatin
Property Insights of Xanthommatin
The XLogP value of -2.7 indicates that Xanthommatin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 185.0 Ų indicates high polarity, suggesting Xanthommatin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Xanthommatin has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Xanthommatin?
The CAS number of Xanthommatin is 521-58-4.
What is the molecular formula of Xanthommatin?
The molecular formula of Xanthommatin is C20H13N3O8.
What is the molecular weight of Xanthommatin?
The molecular weight of Xanthommatin is 423.07 g/mol.
Where can I buy Xanthommatin?
You can request a quote for Xanthommatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthommatin?
Yes, KEHONG BIO provides custom synthesis services for Xanthommatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.