2-(3,5-Dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4H-1-benzopyran-4-one
TL;DR: 2-(3,5-Dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4H-1-benzopyran-4-one (CAS 104567-72-8) is a chemical compound with molecular formula C16H10Br2O4 and molecular weight 423.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxy-3-methylchromen-4-one
Also Known As: Emd 21388, 6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE, 3-Methyl-4',6-dihydroxy-3',5'-dibromoflavone, 2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxy-3-methylchromen-4-one, 2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4H-chromen-4-one
| Molecular Formula | C16H10Br2O4 |
|---|---|
| Molecular Weight | 423.89 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 423.8946 |
| Heavy Atoms | 22 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 104567-72-8 |
|---|---|
| SMILES | CC1=C(OC2=C(C1=O)C=C(C=C2)O)C3=CC(=C(C(=C3)Br)O)Br |
| InChIKey | GKDYOXMZSXVKPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3,5-Dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4H-1-benzopyran-4-one (CAS 104567-72-8), with molecular formula C16H10Br2O4 and molecular weight 423.89 g/mol. IUPAC: 2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxy-3-methylchromen-4-one.
Chemical Property Profile of 2-(3,5-Dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4H-1-benzopyran-4-one
Property Insights of 2-(3,5-Dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4H-1-benzopyran-4-one
The XLogP value of 4.6 indicates that 2-(3,5-Dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4H-1-benzopyran-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,5-Dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4H-1-benzopyran-4-one. Following Lipinski's Rule of Five, 2-(3,5-Dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4H-1-benzopyran-4-one has 2 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 2-(3,5-Dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4H-1-benzopyran-4-one?
The CAS number of 2-(3,5-Dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4H-1-benzopyran-4-one is 104567-72-8.
What is the molecular formula of 2-(3,5-Dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4H-1-benzopyran-4-one?
The molecular formula of 2-(3,5-Dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4H-1-benzopyran-4-one is C16H10Br2O4.
What is the molecular weight of 2-(3,5-Dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4H-1-benzopyran-4-one?
The molecular weight of 2-(3,5-Dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4H-1-benzopyran-4-one is 423.89 g/mol.
Where can I buy 2-(3,5-Dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4H-1-benzopyran-4-one?
You can request a quote for 2-(3,5-Dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4H-1-benzopyran-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,5-Dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4H-1-benzopyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-Dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4H-1-benzopyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.