4-(5-bromo-3-methyl-1-benzofuran-2-yl)-6-tert-butyl-2H-chromen-2-one
TL;DR: 4-(5-bromo-3-methyl-1-benzofuran-2-yl)-6-tert-butyl-2H-chromen-2-one (CAS 844652-98-8) is a chemical compound with molecular formula C22H19BrO3 and molecular weight 410.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-bromo-3-methyl-1-benzofuran-2-yl)-6-tert-butylchromen-2-one
Also Known As: 4-(5-bromo-3-methyl-1-benzofuran-2-yl)-6-tert-butylchromen-2-one, 4-(5-bromo-3-methyl-1-benzofuran-2-yl)-6-tert-butyl-2H-chromen-2-one, 4-(5-bromo-3-methylbenzofuran-2-yl)-6-(tert-butyl)-2H-chromen-2-one
| Molecular Formula | C22H19BrO3 |
|---|---|
| Molecular Weight | 410.05 g/mol |
| LogP | 6.57462 |
| Topological Polar Surface Area | 43.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 410.05176 |
| Heavy Atoms | 26 |
| Complexity | 1205.9788 |
Chemical Identifiers
| CAS Number | 844652-98-8 |
|---|---|
| SMILES | CC1=C(OC2=C1C=C(C=C2)Br)C3=CC(=O)OC4=C3C=C(C=C4)C(C)(C)C |
Product Overview
4-(5-bromo-3-methyl-1-benzofuran-2-yl)-6-tert-butyl-2H-chromen-2-one (CAS 844652-98-8), with molecular formula C22H19BrO3 and molecular weight 410.05 g/mol. IUPAC: 4-(5-bromo-3-methyl-1-benzofuran-2-yl)-6-tert-butylchromen-2-one.
Chemical Property Profile of 4-(5-bromo-3-methyl-1-benzofuran-2-yl)-6-tert-butyl-2H-chromen-2-one
Property Insights of 4-(5-bromo-3-methyl-1-benzofuran-2-yl)-6-tert-butyl-2H-chromen-2-one
The XLogP value of 6.57462 indicates that 4-(5-bromo-3-methyl-1-benzofuran-2-yl)-6-tert-butyl-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 43.35 Ų, 4-(5-bromo-3-methyl-1-benzofuran-2-yl)-6-tert-butyl-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(5-bromo-3-methyl-1-benzofuran-2-yl)-6-tert-butyl-2H-chromen-2-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(5-bromo-3-methyl-1-benzofuran-2-yl)-6-tert-butyl-2H-chromen-2-one?
The CAS number of 4-(5-bromo-3-methyl-1-benzofuran-2-yl)-6-tert-butyl-2H-chromen-2-one is 844652-98-8.
What is the molecular formula of 4-(5-bromo-3-methyl-1-benzofuran-2-yl)-6-tert-butyl-2H-chromen-2-one?
The molecular formula of 4-(5-bromo-3-methyl-1-benzofuran-2-yl)-6-tert-butyl-2H-chromen-2-one is C22H19BrO3.
What is the molecular weight of 4-(5-bromo-3-methyl-1-benzofuran-2-yl)-6-tert-butyl-2H-chromen-2-one?
The molecular weight of 4-(5-bromo-3-methyl-1-benzofuran-2-yl)-6-tert-butyl-2H-chromen-2-one is 410.05 g/mol.
Where can I buy 4-(5-bromo-3-methyl-1-benzofuran-2-yl)-6-tert-butyl-2H-chromen-2-one?
You can request a quote for 4-(5-bromo-3-methyl-1-benzofuran-2-yl)-6-tert-butyl-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 4-(5-bromo-3-methyl-1-benzofuran-2-yl)-6-tert-butyl-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-bromo-3-methyl-1-benzofuran-2-yl)-6-tert-butyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.