![butyl 4-{[(4-oxo-4H-chromen-2-yl)carbonyl]amino}benzoate structure](/static/products/6906/690688-52-9.webp)
butyl 4-{[(4-oxo-4H-chromen-2-yl)carbonyl]amino}benzoate
TL;DR: butyl 4-{[(4-oxo-4H-chromen-2-yl)carbonyl]amino}benzoate (CAS 690688-52-9) is a chemical compound with molecular formula C21H19NO5 and molecular weight 365.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[(4-oxochromene-2-carbonyl)amino]benzoate
Also Known As: butyl 4-(4-oxo-4H-chromene-2-amido)benzoate, butyl 4-{[(4-oxo-4H-chromen-2-yl)carbonyl]amino}benzoate, butyl 4-[(4-oxochromen-2-yl)carbonylamino]benzoate, butyl 4-[(4-oxochromene-2-carbonyl)amino]benzoate, D103-2223
| Molecular Formula | C21H19NO5 |
|---|---|
| Molecular Weight | 365.13 g/mol |
| LogP | 4.0022 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 365.1263 |
| Heavy Atoms | 27 |
| Complexity | 1020.67145 |
Chemical Identifiers
| CAS Number | 690688-52-9 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=O)C3=CC=CC=C3O2 |
Product Overview
butyl 4-{[(4-oxo-4H-chromen-2-yl)carbonyl]amino}benzoate (CAS 690688-52-9), with molecular formula C21H19NO5 and molecular weight 365.13 g/mol. IUPAC: butyl 4-[(4-oxochromene-2-carbonyl)amino]benzoate.
Chemical Property Profile of butyl 4-{[(4-oxo-4H-chromen-2-yl)carbonyl]amino}benzoate
Property Insights of butyl 4-{[(4-oxo-4H-chromen-2-yl)carbonyl]amino}benzoate
The XLogP value of 4.0022 indicates that butyl 4-{[(4-oxo-4H-chromen-2-yl)carbonyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for butyl 4-{[(4-oxo-4H-chromen-2-yl)carbonyl]amino}benzoate. Following Lipinski's Rule of Five, butyl 4-{[(4-oxo-4H-chromen-2-yl)carbonyl]amino}benzoate has 1 hydrogen bond donor(s) and 5 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-{[(4-oxo-4H-chromen-2-yl)carbonyl]amino}benzoate?
The CAS number of butyl 4-{[(4-oxo-4H-chromen-2-yl)carbonyl]amino}benzoate is 690688-52-9.
What is the molecular formula of butyl 4-{[(4-oxo-4H-chromen-2-yl)carbonyl]amino}benzoate?
The molecular formula of butyl 4-{[(4-oxo-4H-chromen-2-yl)carbonyl]amino}benzoate is C21H19NO5.
What is the molecular weight of butyl 4-{[(4-oxo-4H-chromen-2-yl)carbonyl]amino}benzoate?
The molecular weight of butyl 4-{[(4-oxo-4H-chromen-2-yl)carbonyl]amino}benzoate is 365.13 g/mol.
Where can I buy butyl 4-{[(4-oxo-4H-chromen-2-yl)carbonyl]amino}benzoate?
You can request a quote for butyl 4-{[(4-oxo-4H-chromen-2-yl)carbonyl]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-{[(4-oxo-4H-chromen-2-yl)carbonyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for butyl 4-{[(4-oxo-4H-chromen-2-yl)carbonyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.