4-acetylphenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate
TL;DR: 4-acetylphenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate (CAS 325805-33-2) is a chemical compound with molecular formula C18H11BrO5 and molecular weight 385.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetylphenyl) 6-bromo-2-oxochromene-3-carboxylate
Also Known As: 4-acetylphenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate, VU0093581-2, (4-acetylphenyl) 6-bromo-2-oxochromene-3-carboxylate, 4-acetylphenyl 6-bromo-2-oxochromene-3-carboxylate, F0706-0217
| Molecular Formula | C18H11BrO5 |
|---|---|
| Molecular Weight | 385.98 g/mol |
| LogP | 3.9773 |
| Topological Polar Surface Area | 73.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.979 |
| Heavy Atoms | 24 |
| Complexity | 1002.088 |
Chemical Identifiers
| CAS Number | 325805-33-2 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O |
Product Overview
4-acetylphenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate (CAS 325805-33-2), with molecular formula C18H11BrO5 and molecular weight 385.98 g/mol. IUPAC: (4-acetylphenyl) 6-bromo-2-oxochromene-3-carboxylate.
Chemical Property Profile of 4-acetylphenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate
Property Insights of 4-acetylphenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate
The XLogP value of 3.9773 indicates that 4-acetylphenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-acetylphenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate. Following Lipinski's Rule of Five, 4-acetylphenyl 6-bromo-2-oxo-2H-chromene-3-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 4-acetylphenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate?
The CAS number of 4-acetylphenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate is 325805-33-2.
What is the molecular formula of 4-acetylphenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate?
The molecular formula of 4-acetylphenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate is C18H11BrO5.
What is the molecular weight of 4-acetylphenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate?
The molecular weight of 4-acetylphenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate is 385.98 g/mol.
Where can I buy 4-acetylphenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate?
You can request a quote for 4-acetylphenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-acetylphenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-acetylphenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.