![butyl 4-[(3-nitro-2-oxo-2H-chromen-4-yl)amino]benzoate structure](/static/products/499/499997-10-3.png)
butyl 4-[(3-nitro-2-oxo-2H-chromen-4-yl)amino]benzoate
TL;DR: butyl 4-[(3-nitro-2-oxo-2H-chromen-4-yl)amino]benzoate (CAS 499997-10-3) is a chemical compound with molecular formula C20H18N2O6 and molecular weight 382.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[(3-nitro-2-oxochromen-4-yl)amino]benzoate
Also Known As: BAS 01083420, butyl 4-[(3-nitro-2-oxo-2H-chromen-4-yl)amino]benzoate, butyl 4-[(3-nitro-2-oxochromen-4-yl)amino]benzoate, butyl 4-((3-nitro-2-oxo-2H-chromen-4-yl)amino)benzoate, 4-(3-Nitro-2-oxo-2H-chromen-4-ylamino)-benzoic acid butyl ester
| Molecular Formula | C20H18N2O6 |
|---|---|
| Molecular Weight | 382.12 g/mol |
| LogP | 4.4017 |
| Topological Polar Surface Area | 111.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.1165 |
| Heavy Atoms | 28 |
| Complexity | 1072.2412 |
Chemical Identifiers
| CAS Number | 499997-10-3 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-] |
Product Overview
butyl 4-[(3-nitro-2-oxo-2H-chromen-4-yl)amino]benzoate (CAS 499997-10-3), with molecular formula C20H18N2O6 and molecular weight 382.12 g/mol. IUPAC: butyl 4-[(3-nitro-2-oxochromen-4-yl)amino]benzoate.
Chemical Property Profile of butyl 4-[(3-nitro-2-oxo-2H-chromen-4-yl)amino]benzoate
Property Insights of butyl 4-[(3-nitro-2-oxo-2H-chromen-4-yl)amino]benzoate
The XLogP value of 4.4017 indicates that butyl 4-[(3-nitro-2-oxo-2H-chromen-4-yl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.68 Ų falls within the moderate polarity range, balancing permeability and solubility for butyl 4-[(3-nitro-2-oxo-2H-chromen-4-yl)amino]benzoate. Following Lipinski's Rule of Five, butyl 4-[(3-nitro-2-oxo-2H-chromen-4-yl)amino]benzoate has 1 hydrogen bond donor(s) and 7 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 butyl 4-[(3-nitro-2-oxo-2H-chromen-4-yl)amino]benzoate?
The CAS number of butyl 4-[(3-nitro-2-oxo-2H-chromen-4-yl)amino]benzoate is 499997-10-3.
What is the molecular formula of butyl 4-[(3-nitro-2-oxo-2H-chromen-4-yl)amino]benzoate?
The molecular formula of butyl 4-[(3-nitro-2-oxo-2H-chromen-4-yl)amino]benzoate is C20H18N2O6.
What is the molecular weight of butyl 4-[(3-nitro-2-oxo-2H-chromen-4-yl)amino]benzoate?
The molecular weight of butyl 4-[(3-nitro-2-oxo-2H-chromen-4-yl)amino]benzoate is 382.12 g/mol.
Where can I buy butyl 4-[(3-nitro-2-oxo-2H-chromen-4-yl)amino]benzoate?
You can request a quote for butyl 4-[(3-nitro-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 butyl 4-[(3-nitro-2-oxo-2H-chromen-4-yl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for butyl 4-[(3-nitro-2-oxo-2H-chromen-4-yl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.