phenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate
TL;DR: phenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate (CAS 53992-25-9) is a chemical compound with molecular formula C16H9BrO4 and molecular weight 343.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 6-bromo-2-oxochromene-3-carboxylate
Also Known As: ChemDiv3_002208, phenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate, phenyl 6-bromo-2-oxochromene-3-carboxylate, VU0093317-2, BRD-K92560030-001-01-9
| Molecular Formula | C16H9BrO4 |
|---|---|
| Molecular Weight | 343.97 g/mol |
| LogP | 3.7747 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.9684 |
| Heavy Atoms | 21 |
| Complexity | 868.3294 |
Chemical Identifiers
| CAS Number | 53992-25-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O |
Product Overview
phenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate (CAS 53992-25-9), with molecular formula C16H9BrO4 and molecular weight 343.97 g/mol. IUPAC: phenyl 6-bromo-2-oxochromene-3-carboxylate.
Chemical Property Profile of phenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate
Property Insights of phenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate
The XLogP value of 3.7747 indicates that phenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, phenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, phenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate has 0 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 phenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate?
The CAS number of phenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate is 53992-25-9.
What is the molecular formula of phenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate?
The molecular formula of phenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate is C16H9BrO4.
What is the molecular weight of phenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate?
The molecular weight of phenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate is 343.97 g/mol.
Where can I buy phenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate?
You can request a quote for phenyl 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 phenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for phenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.