![2-[4-(Methoxycarbonyl)anilino]-2-oxoethyl 4-cyano-2-fluorobenzoate structure](/static/products/7224/722471-28-5.webp)
2-[4-(Methoxycarbonyl)anilino]-2-oxoethyl 4-cyano-2-fluorobenzoate
TL;DR: 2-[4-(Methoxycarbonyl)anilino]-2-oxoethyl 4-cyano-2-fluorobenzoate (CAS 722471-28-5) is a chemical compound with molecular formula C18H13FN2O5 and molecular weight 356.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-cyano-2-fluorobenzoate
Also Known As: 2-[4-(methoxycarbonyl)anilino]-2-oxoethyl 4-cyano-2-fluorobenzoate, AH-487/42368945, [2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-cyano-2-fluorobenzoate, 2-((4-(methoxycarbonyl)phenyl)amino)-2-oxoethyl 4-cyano-2-fluorobenzoate, 2-{[4-(methoxycarbonyl)phenyl]amino}-2-oxoethyl 4-cyano-2-fluorobenzoate
| Molecular Formula | C18H13FN2O5 |
|---|---|
| Molecular Weight | 356.08 g/mol |
| LogP | 2.27948 |
| Topological Polar Surface Area | 105.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.08084 |
| Heavy Atoms | 26 |
| Complexity | 887.44476 |
Chemical Identifiers
| CAS Number | 722471-28-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)C#N)F |
Product Overview
2-[4-(Methoxycarbonyl)anilino]-2-oxoethyl 4-cyano-2-fluorobenzoate (CAS 722471-28-5), with molecular formula C18H13FN2O5 and molecular weight 356.08 g/mol. IUPAC: [2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-cyano-2-fluorobenzoate.
Chemical Property Profile of 2-[4-(Methoxycarbonyl)anilino]-2-oxoethyl 4-cyano-2-fluorobenzoate
Property Insights of 2-[4-(Methoxycarbonyl)anilino]-2-oxoethyl 4-cyano-2-fluorobenzoate
The XLogP value of 2.27948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(Methoxycarbonyl)anilino]-2-oxoethyl 4-cyano-2-fluorobenzoate. The TPSA of 105.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(Methoxycarbonyl)anilino]-2-oxoethyl 4-cyano-2-fluorobenzoate. Following Lipinski's Rule of Five, 2-[4-(Methoxycarbonyl)anilino]-2-oxoethyl 4-cyano-2-fluorobenzoate has 1 hydrogen bond donor(s) and 6 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 2-[4-(Methoxycarbonyl)anilino]-2-oxoethyl 4-cyano-2-fluorobenzoate?
The CAS number of 2-[4-(Methoxycarbonyl)anilino]-2-oxoethyl 4-cyano-2-fluorobenzoate is 722471-28-5.
What is the molecular formula of 2-[4-(Methoxycarbonyl)anilino]-2-oxoethyl 4-cyano-2-fluorobenzoate?
The molecular formula of 2-[4-(Methoxycarbonyl)anilino]-2-oxoethyl 4-cyano-2-fluorobenzoate is C18H13FN2O5.
What is the molecular weight of 2-[4-(Methoxycarbonyl)anilino]-2-oxoethyl 4-cyano-2-fluorobenzoate?
The molecular weight of 2-[4-(Methoxycarbonyl)anilino]-2-oxoethyl 4-cyano-2-fluorobenzoate is 356.08 g/mol.
Where can I buy 2-[4-(Methoxycarbonyl)anilino]-2-oxoethyl 4-cyano-2-fluorobenzoate?
You can request a quote for 2-[4-(Methoxycarbonyl)anilino]-2-oxoethyl 4-cyano-2-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(Methoxycarbonyl)anilino]-2-oxoethyl 4-cyano-2-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(Methoxycarbonyl)anilino]-2-oxoethyl 4-cyano-2-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.