2-(Cyclopropylamino)-2-oxoethyl 2-amino-4-fluorobenzoate
TL;DR: 2-(Cyclopropylamino)-2-oxoethyl 2-amino-4-fluorobenzoate (CAS 1240747-72-1) is a chemical compound with molecular formula C12H13FN2O3 and molecular weight 252.09102 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(cyclopropylamino)-2-oxoethyl] 2-amino-4-fluorobenzoate
Also Known As: 2-(Cyclopropylamino)-2-oxoethyl 2-amino-4-fluorobenzoate, [2-(cyclopropylamino)-2-oxoethyl] 2-amino-4-fluorobenzoate
Technical Specifications
| Molecular Formula | C12H13FN2O3 |
| Molecular Weight | 252.09102 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 81.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.09102 Da |
| Heavy Atoms | 18 |
| Complexity | 333.0 |
| SMILES | C1CC1NC(=O)COC(=O)C2=C(C=C(C=C2)F)N |
| InChIKey | QYCIFOTUMVFGCK-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Cyclopropylamino)-2-oxoethyl 2-amino-4-fluorobenzoate
Property Insights of 2-(Cyclopropylamino)-2-oxoethyl 2-amino-4-fluorobenzoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Cyclopropylamino)-2-oxoethyl 2-amino-4-fluorobenzoate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Cyclopropylamino)-2-oxoethyl 2-amino-4-fluorobenzoate. Following Lipinski's Rule of Five, 2-(Cyclopropylamino)-2-oxoethyl 2-amino-4-fluorobenzoate 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
What is the CAS number of 2-(Cyclopropylamino)-2-oxoethyl 2-amino-4-fluorobenzoate?
The CAS number of 2-(Cyclopropylamino)-2-oxoethyl 2-amino-4-fluorobenzoate is 1240747-72-1.
What is the molecular formula of 2-(Cyclopropylamino)-2-oxoethyl 2-amino-4-fluorobenzoate?
The molecular formula of 2-(Cyclopropylamino)-2-oxoethyl 2-amino-4-fluorobenzoate is C12H13FN2O3.
What is the molecular weight of 2-(Cyclopropylamino)-2-oxoethyl 2-amino-4-fluorobenzoate?
The molecular weight of 2-(Cyclopropylamino)-2-oxoethyl 2-amino-4-fluorobenzoate is 252.09102 g/mol.
Where can I buy 2-(Cyclopropylamino)-2-oxoethyl 2-amino-4-fluorobenzoate?
You can request a quote for 2-(Cyclopropylamino)-2-oxoethyl 2-amino-4-fluorobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Cyclopropylamino)-2-oxoethyl 2-amino-4-fluorobenzoate?
Yes, CoreyChem provides custom synthesis services for 2-(Cyclopropylamino)-2-oxoethyl 2-amino-4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.