![ethyl 3-{[(3-bromo-2,8-dimethyl-4-oxoquinolin-1(4H)-yl)acetyl]amino}benzoate structure](/static/products/385/385386-67-4.png)
ethyl 3-{[(3-bromo-2,8-dimethyl-4-oxoquinolin-1(4H)-yl)acetyl]amino}benzoate
TL;DR: ethyl 3-{[(3-bromo-2,8-dimethyl-4-oxoquinolin-1(4H)-yl)acetyl]amino}benzoate (CAS 385386-67-4) is a chemical compound with molecular formula C22H21BrN2O4 and molecular weight 456.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[2-(3-bromo-2,8-dimethyl-4-oxoquinolin-1-yl)acetyl]amino]benzoate
Also Known As: ethyl 3-(2-(3-bromo-2,8-dimethyl-4-oxoquinolin-1(4H)-yl)acetamido)benzoate, ethyl 3-[[2-(3-bromo-2,8-dimethyl-4-oxoquinolin-1-yl)acetyl]amino]benzoate, ethyl 3-{[(3-bromo-2,8-dimethyl-4-oxoquinolin-1(4H)-yl)acetyl]amino}benzoate
| Molecular Formula | C22H21BrN2O4 |
|---|---|
| Molecular Weight | 456.07 g/mol |
| LogP | 4.19624 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.06848 |
| Heavy Atoms | 29 |
| Complexity | 1167.4214 |
Chemical Identifiers
| CAS Number | 385386-67-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=C(C(=O)C3=CC=CC(=C32)C)Br)C |
Product Overview
ethyl 3-{[(3-bromo-2,8-dimethyl-4-oxoquinolin-1(4H)-yl)acetyl]amino}benzoate (CAS 385386-67-4), with molecular formula C22H21BrN2O4 and molecular weight 456.07 g/mol. IUPAC: ethyl 3-[[2-(3-bromo-2,8-dimethyl-4-oxoquinolin-1-yl)acetyl]amino]benzoate.
Chemical Property Profile of ethyl 3-{[(3-bromo-2,8-dimethyl-4-oxoquinolin-1(4H)-yl)acetyl]amino}benzoate
Property Insights of ethyl 3-{[(3-bromo-2,8-dimethyl-4-oxoquinolin-1(4H)-yl)acetyl]amino}benzoate
The XLogP value of 4.19624 indicates that ethyl 3-{[(3-bromo-2,8-dimethyl-4-oxoquinolin-1(4H)-yl)acetyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-{[(3-bromo-2,8-dimethyl-4-oxoquinolin-1(4H)-yl)acetyl]amino}benzoate. Following Lipinski's Rule of Five, ethyl 3-{[(3-bromo-2,8-dimethyl-4-oxoquinolin-1(4H)-yl)acetyl]amino}benzoate 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 ethyl 3-{[(3-bromo-2,8-dimethyl-4-oxoquinolin-1(4H)-yl)acetyl]amino}benzoate?
The CAS number of ethyl 3-{[(3-bromo-2,8-dimethyl-4-oxoquinolin-1(4H)-yl)acetyl]amino}benzoate is 385386-67-4.
What is the molecular formula of ethyl 3-{[(3-bromo-2,8-dimethyl-4-oxoquinolin-1(4H)-yl)acetyl]amino}benzoate?
The molecular formula of ethyl 3-{[(3-bromo-2,8-dimethyl-4-oxoquinolin-1(4H)-yl)acetyl]amino}benzoate is C22H21BrN2O4.
What is the molecular weight of ethyl 3-{[(3-bromo-2,8-dimethyl-4-oxoquinolin-1(4H)-yl)acetyl]amino}benzoate?
The molecular weight of ethyl 3-{[(3-bromo-2,8-dimethyl-4-oxoquinolin-1(4H)-yl)acetyl]amino}benzoate is 456.07 g/mol.
Where can I buy ethyl 3-{[(3-bromo-2,8-dimethyl-4-oxoquinolin-1(4H)-yl)acetyl]amino}benzoate?
You can request a quote for ethyl 3-{[(3-bromo-2,8-dimethyl-4-oxoquinolin-1(4H)-yl)acetyl]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 3-{[(3-bromo-2,8-dimethyl-4-oxoquinolin-1(4H)-yl)acetyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-{[(3-bromo-2,8-dimethyl-4-oxoquinolin-1(4H)-yl)acetyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.