ethyl 4-(6-bromo-2-oxo-2H-chromene-3-carbonyl)piperazine-1-carboxylate
TL;DR: ethyl 4-(6-bromo-2-oxo-2H-chromene-3-carbonyl)piperazine-1-carboxylate (CAS 663929-91-7) is a chemical compound with molecular formula C17H17BrN2O5 and molecular weight 408.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(6-bromo-2-oxochromene-3-carbonyl)piperazine-1-carboxylate
Also Known As: ethyl 4-(6-bromo-2-oxo-2H-chromene-3-carbonyl)piperazine-1-carboxylate, A2940/0123796, ethyl 4-(6-bromo-2-oxochromene-3-carbonyl)piperazine-1-carboxylate
| Molecular Formula | C17H17BrN2O5 |
|---|---|
| Molecular Weight | 408.03 g/mol |
| LogP | 2.4698 |
| Topological Polar Surface Area | 80.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 408.03207 |
| Heavy Atoms | 25 |
| Complexity | 870.9575 |
Chemical Identifiers
| CAS Number | 663929-91-7 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O |
Product Overview
ethyl 4-(6-bromo-2-oxo-2H-chromene-3-carbonyl)piperazine-1-carboxylate (CAS 663929-91-7), with molecular formula C17H17BrN2O5 and molecular weight 408.03 g/mol. IUPAC: ethyl 4-(6-bromo-2-oxochromene-3-carbonyl)piperazine-1-carboxylate.
Chemical Property Profile of ethyl 4-(6-bromo-2-oxo-2H-chromene-3-carbonyl)piperazine-1-carboxylate
Property Insights of ethyl 4-(6-bromo-2-oxo-2H-chromene-3-carbonyl)piperazine-1-carboxylate
The XLogP value of 2.4698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(6-bromo-2-oxo-2H-chromene-3-carbonyl)piperazine-1-carboxylate. The TPSA of 80.06 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(6-bromo-2-oxo-2H-chromene-3-carbonyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, ethyl 4-(6-bromo-2-oxo-2H-chromene-3-carbonyl)piperazine-1-carboxylate has 0 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 ethyl 4-(6-bromo-2-oxo-2H-chromene-3-carbonyl)piperazine-1-carboxylate?
The CAS number of ethyl 4-(6-bromo-2-oxo-2H-chromene-3-carbonyl)piperazine-1-carboxylate is 663929-91-7.
What is the molecular formula of ethyl 4-(6-bromo-2-oxo-2H-chromene-3-carbonyl)piperazine-1-carboxylate?
The molecular formula of ethyl 4-(6-bromo-2-oxo-2H-chromene-3-carbonyl)piperazine-1-carboxylate is C17H17BrN2O5.
What is the molecular weight of ethyl 4-(6-bromo-2-oxo-2H-chromene-3-carbonyl)piperazine-1-carboxylate?
The molecular weight of ethyl 4-(6-bromo-2-oxo-2H-chromene-3-carbonyl)piperazine-1-carboxylate is 408.03 g/mol.
Where can I buy ethyl 4-(6-bromo-2-oxo-2H-chromene-3-carbonyl)piperazine-1-carboxylate?
You can request a quote for ethyl 4-(6-bromo-2-oxo-2H-chromene-3-carbonyl)piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(6-bromo-2-oxo-2H-chromene-3-carbonyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(6-bromo-2-oxo-2H-chromene-3-carbonyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.