N-(3-fluorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine
TL;DR: N-(3-fluorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine (CAS 1042144-92-2) is a chemical compound with molecular formula C15H15FN2O4 and molecular weight 306.1016 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-fluoroanilino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid
Also Known As: N-(3-fluorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine, 3-[(3-fluorophenyl)carbamoyl]-3-(2-furylmethylamino)propanoic Acid, 4-(3-fluoroanilino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid, 4-(3-fluoroanilino)-3-(furan-2-ylmethylazaniumyl)-4-oxobutanoate, 4-((3-fluorophenyl)amino)-3-((furan-2-ylmethyl)amino)-4-oxobutanoic acid
Technical Specifications
| Molecular Formula | C15H15FN2O4 |
| Molecular Weight | 306.1016 g/mol |
| XLogP | -1.4 |
| Topological Polar Surface Area (TPSA) | 91.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 306.1016 Da |
| Heavy Atoms | 22 |
| Complexity | 394.0 |
| SMILES | C1=CC(=CC(=C1)F)NC(=O)C(CC(=O)O)NCC2=CC=CO2 |
| InChIKey | ORHIGPMKUOOYQA-UHFFFAOYSA-N |
Chemical Property Profile of N-(3-fluorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine
Property Insights of N-(3-fluorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine
The XLogP value of -1.4 indicates that N-(3-fluorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-fluorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine. Following Lipinski's Rule of Five, N-(3-fluorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine has 3 hydrogen bond donor(s) and 6 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-(3-fluorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine?
The CAS number of N-(3-fluorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine is 1042144-92-2.
What is the molecular formula of N-(3-fluorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine?
The molecular formula of N-(3-fluorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine is C15H15FN2O4.
What is the molecular weight of N-(3-fluorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine?
The molecular weight of N-(3-fluorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine is 306.1016 g/mol.
Where can I buy N-(3-fluorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine?
You can request a quote for N-(3-fluorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(3-fluorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine?
Yes, CoreyChem provides custom synthesis services for N-(3-fluorophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.