![ethyl 4-[(3-amino-2-oxo-2H-chromen-4-yl)amino]benzoate structure](/static/products/3132/313231-50-4.webp)
ethyl 4-[(3-amino-2-oxo-2H-chromen-4-yl)amino]benzoate
TL;DR: ethyl 4-[(3-amino-2-oxo-2H-chromen-4-yl)amino]benzoate (CAS 313231-50-4) is a chemical compound with molecular formula C18H16N2O4 and molecular weight 324.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3-amino-2-oxochromen-4-yl)amino]benzoate
Also Known As: ChemDiv2_000331, ethyl 4-[(3-amino-2-oxo-2H-chromen-4-yl)amino]benzoate, BAS 01052329, BIM-0018891.P001, ethyl 4-[(3-amino-2-oxochromen-4-yl)amino]benzoate
| Molecular Formula | C18H16N2O4 |
|---|---|
| Molecular Weight | 324.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.111 |
| Heavy Atoms | 24 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 313231-50-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=O)OC3=CC=CC=C32)N |
| InChIKey | UFMACHRLGGOBAI-UHFFFAOYSA-N |
Product Overview
ethyl 4-[(3-amino-2-oxo-2H-chromen-4-yl)amino]benzoate (CAS 313231-50-4), with molecular formula C18H16N2O4 and molecular weight 324.11 g/mol. IUPAC: ethyl 4-[(3-amino-2-oxochromen-4-yl)amino]benzoate.
Chemical Property Profile of ethyl 4-[(3-amino-2-oxo-2H-chromen-4-yl)amino]benzoate
Property Insights of ethyl 4-[(3-amino-2-oxo-2H-chromen-4-yl)amino]benzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[(3-amino-2-oxo-2H-chromen-4-yl)amino]benzoate. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[(3-amino-2-oxo-2H-chromen-4-yl)amino]benzoate. Following Lipinski's Rule of Five, ethyl 4-[(3-amino-2-oxo-2H-chromen-4-yl)amino]benzoate has 2 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 ethyl 4-[(3-amino-2-oxo-2H-chromen-4-yl)amino]benzoate?
The CAS number of ethyl 4-[(3-amino-2-oxo-2H-chromen-4-yl)amino]benzoate is 313231-50-4.
What is the molecular formula of ethyl 4-[(3-amino-2-oxo-2H-chromen-4-yl)amino]benzoate?
The molecular formula of ethyl 4-[(3-amino-2-oxo-2H-chromen-4-yl)amino]benzoate is C18H16N2O4.
What is the molecular weight of ethyl 4-[(3-amino-2-oxo-2H-chromen-4-yl)amino]benzoate?
The molecular weight of ethyl 4-[(3-amino-2-oxo-2H-chromen-4-yl)amino]benzoate is 324.11 g/mol.
Where can I buy ethyl 4-[(3-amino-2-oxo-2H-chromen-4-yl)amino]benzoate?
You can request a quote for ethyl 4-[(3-amino-2-oxo-2H-chromen-4-yl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-[(3-amino-2-oxo-2H-chromen-4-yl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[(3-amino-2-oxo-2H-chromen-4-yl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.