2-(1-Naphthylamino)-2-oxoethyl 4-cyano-2-fluorobenzoate
TL;DR: 2-(1-Naphthylamino)-2-oxoethyl 4-cyano-2-fluorobenzoate (CAS 722471-07-0) is a chemical compound with molecular formula C20H13FN2O3 and molecular weight 348.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-cyano-2-fluorobenzoate
Also Known As: 2-(1-naphthylamino)-2-oxoethyl 4-cyano-2-fluorobenzoate, AH-487/42366677, [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-cyano-2-fluorobenzoate, 2-(naphthalen-1-ylamino)-2-oxoethyl 4-cyano-2-fluorobenzoate
| Molecular Formula | C20H13FN2O3 |
|---|---|
| Molecular Weight | 348.09 g/mol |
| LogP | 3.64608 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.09103 |
| Heavy Atoms | 26 |
| Complexity | 1035.4009 |
Chemical Identifiers
| CAS Number | 722471-07-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2NC(=O)COC(=O)C3=C(C=C(C=C3)C#N)F |
Product Overview
2-(1-Naphthylamino)-2-oxoethyl 4-cyano-2-fluorobenzoate (CAS 722471-07-0), with molecular formula C20H13FN2O3 and molecular weight 348.09 g/mol. IUPAC: [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-cyano-2-fluorobenzoate.
Chemical Property Profile of 2-(1-Naphthylamino)-2-oxoethyl 4-cyano-2-fluorobenzoate
Property Insights of 2-(1-Naphthylamino)-2-oxoethyl 4-cyano-2-fluorobenzoate
The XLogP value of 3.64608 indicates that 2-(1-Naphthylamino)-2-oxoethyl 4-cyano-2-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Naphthylamino)-2-oxoethyl 4-cyano-2-fluorobenzoate. Following Lipinski's Rule of Five, 2-(1-Naphthylamino)-2-oxoethyl 4-cyano-2-fluorobenzoate has 1 hydrogen bond donor(s) and 4 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-(1-Naphthylamino)-2-oxoethyl 4-cyano-2-fluorobenzoate?
The CAS number of 2-(1-Naphthylamino)-2-oxoethyl 4-cyano-2-fluorobenzoate is 722471-07-0.
What is the molecular formula of 2-(1-Naphthylamino)-2-oxoethyl 4-cyano-2-fluorobenzoate?
The molecular formula of 2-(1-Naphthylamino)-2-oxoethyl 4-cyano-2-fluorobenzoate is C20H13FN2O3.
What is the molecular weight of 2-(1-Naphthylamino)-2-oxoethyl 4-cyano-2-fluorobenzoate?
The molecular weight of 2-(1-Naphthylamino)-2-oxoethyl 4-cyano-2-fluorobenzoate is 348.09 g/mol.
Where can I buy 2-(1-Naphthylamino)-2-oxoethyl 4-cyano-2-fluorobenzoate?
You can request a quote for 2-(1-Naphthylamino)-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-(1-Naphthylamino)-2-oxoethyl 4-cyano-2-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Naphthylamino)-2-oxoethyl 4-cyano-2-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.