2-oxo-2H-chromen-4-yl 3,5-dibromo-2-methoxybenzoate
TL;DR: 2-oxo-2H-chromen-4-yl 3,5-dibromo-2-methoxybenzoate (CAS 848767-87-3) is a chemical compound with molecular formula C17H10Br2O5 and molecular weight 451.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxochromen-4-yl) 3,5-dibromo-2-methoxybenzoate
Also Known As: 2-oxo-2H-chromen-4-yl 3,5-dibromo-2-methoxybenzoate, (2-oxochromen-4-yl) 3,5-dibromo-2-methoxybenzoate, (2-oxochromen-4-yl) 3,5-dibromo-2-methoxy-benzoate
| Molecular Formula | C17H10Br2O5 |
|---|---|
| Molecular Weight | 451.89 g/mol |
| LogP | 4.5458 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 451.8895 |
| Heavy Atoms | 24 |
| Complexity | 993.92773 |
Chemical Identifiers
| CAS Number | 848767-87-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1Br)Br)C(=O)OC2=CC(=O)OC3=CC=CC=C32 |
Product Overview
2-oxo-2H-chromen-4-yl 3,5-dibromo-2-methoxybenzoate (CAS 848767-87-3), with molecular formula C17H10Br2O5 and molecular weight 451.89 g/mol. IUPAC: (2-oxochromen-4-yl) 3,5-dibromo-2-methoxybenzoate.
Chemical Property Profile of 2-oxo-2H-chromen-4-yl 3,5-dibromo-2-methoxybenzoate
Property Insights of 2-oxo-2H-chromen-4-yl 3,5-dibromo-2-methoxybenzoate
The XLogP value of 4.5458 indicates that 2-oxo-2H-chromen-4-yl 3,5-dibromo-2-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-oxo-2H-chromen-4-yl 3,5-dibromo-2-methoxybenzoate. Following Lipinski's Rule of Five, 2-oxo-2H-chromen-4-yl 3,5-dibromo-2-methoxybenzoate 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 2-oxo-2H-chromen-4-yl 3,5-dibromo-2-methoxybenzoate?
The CAS number of 2-oxo-2H-chromen-4-yl 3,5-dibromo-2-methoxybenzoate is 848767-87-3.
What is the molecular formula of 2-oxo-2H-chromen-4-yl 3,5-dibromo-2-methoxybenzoate?
The molecular formula of 2-oxo-2H-chromen-4-yl 3,5-dibromo-2-methoxybenzoate is C17H10Br2O5.
What is the molecular weight of 2-oxo-2H-chromen-4-yl 3,5-dibromo-2-methoxybenzoate?
The molecular weight of 2-oxo-2H-chromen-4-yl 3,5-dibromo-2-methoxybenzoate is 451.89 g/mol.
Where can I buy 2-oxo-2H-chromen-4-yl 3,5-dibromo-2-methoxybenzoate?
You can request a quote for 2-oxo-2H-chromen-4-yl 3,5-dibromo-2-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-oxo-2H-chromen-4-yl 3,5-dibromo-2-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-oxo-2H-chromen-4-yl 3,5-dibromo-2-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.