6,8-dibromo-3-butyryl-2H-chromen-2-one
TL;DR: 6,8-dibromo-3-butyryl-2H-chromen-2-one (CAS 3855-85-4) is a chemical compound with molecular formula C13H10Br2O3 and molecular weight 371.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dibromo-3-butanoylchromen-2-one
Also Known As: 6,8-dibromo-3-butyryl-2H-chromen-2-one, Maybridge1_001451, 6,8-dibromo-3-butanoylchromen-2-one, 5-Methyl-2-(methylthio)furan, 6,8-dibromo-3-butanoyl-2H-chromen-2-one
| Molecular Formula | C13H10Br2O3 |
|---|---|
| Molecular Weight | 371.90 g/mol |
| LogP | 4.3008 |
| Topological Polar Surface Area | 47.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.89966 |
| Heavy Atoms | 18 |
| Complexity | 673.7261 |
Chemical Identifiers
| CAS Number | 3855-85-4 |
|---|---|
| SMILES | CCCC(=O)C1=CC2=CC(=CC(=C2OC1=O)Br)Br |
Product Overview
6,8-dibromo-3-butyryl-2H-chromen-2-one (CAS 3855-85-4), with molecular formula C13H10Br2O3 and molecular weight 371.90 g/mol. IUPAC: 6,8-dibromo-3-butanoylchromen-2-one.
Chemical Property Profile of 6,8-dibromo-3-butyryl-2H-chromen-2-one
Property Insights of 6,8-dibromo-3-butyryl-2H-chromen-2-one
The XLogP value of 4.3008 indicates that 6,8-dibromo-3-butyryl-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.28 Ų, 6,8-dibromo-3-butyryl-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,8-dibromo-3-butyryl-2H-chromen-2-one has 0 hydrogen bond donor(s) and 3 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 6,8-dibromo-3-butyryl-2H-chromen-2-one?
The CAS number of 6,8-dibromo-3-butyryl-2H-chromen-2-one is 3855-85-4.
What is the molecular formula of 6,8-dibromo-3-butyryl-2H-chromen-2-one?
The molecular formula of 6,8-dibromo-3-butyryl-2H-chromen-2-one is C13H10Br2O3.
What is the molecular weight of 6,8-dibromo-3-butyryl-2H-chromen-2-one?
The molecular weight of 6,8-dibromo-3-butyryl-2H-chromen-2-one is 371.90 g/mol.
Where can I buy 6,8-dibromo-3-butyryl-2H-chromen-2-one?
You can request a quote for 6,8-dibromo-3-butyryl-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,8-dibromo-3-butyryl-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6,8-dibromo-3-butyryl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.