N-Formylkynurenine
TL;DR: N-Formylkynurenine (CAS 1022-31-7) is a chemical compound with molecular formula C11H12N2O4 and molecular weight 236.07971 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid
Also Known As: N-formylkynurenine, N'-formylkynurenine, Formylkynurenine, n-formyl kynurenine, Formyl-L-Kynurenine
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H12N2O4 |
| Molecular Weight | 236.07971 g/mol |
| XLogP | -2.3 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.07971 Da |
| Heavy Atoms | 17 |
| Complexity | 306.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)CC(C(=O)O)N)NC=O |
| InChIKey | BYHJHXPTQMMKCA-UHFFFAOYSA-N |
Product Description
Applications: N-Formylkynurenine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. 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).
N-Formylkynurenine (CAS 1022-31-7) is a pharmaceutical intermediate with the molecular formula C11H12N2O4 and a molecular weight of 236.08 g/mol. Synonyms include N-formylkynurenine and N'-formylkynurenine.
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 N-Formylkynurenine
Property Insights of N-Formylkynurenine
The XLogP value of -2.3 indicates that N-Formylkynurenine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Formylkynurenine. Following Lipinski's Rule of Five, N-Formylkynurenine has 3 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 N-Formylkynurenine?
The CAS number of N-Formylkynurenine is 1022-31-7.
What is the molecular formula of N-Formylkynurenine?
The molecular formula of N-Formylkynurenine is C11H12N2O4.
What is the molecular weight of N-Formylkynurenine?
The molecular weight of N-Formylkynurenine is 236.07971 g/mol.
What are the applications of N-Formylkynurenine?
N-Formylkynurenine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy N-Formylkynurenine?
You can request a quote for N-Formylkynurenine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Formylkynurenine?
Yes, CoreyChem provides custom synthesis services for N-Formylkynurenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.