6-bromo-2-(3,6-dimethylbenzofuran-2-yl)-4H-chromen-4-one
TL;DR: 6-bromo-2-(3,6-dimethylbenzofuran-2-yl)-4H-chromen-4-one (CAS 85461-36-5) is a chemical compound with molecular formula C19H13BrO3 and molecular weight 368.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-2-(3,6-dimethyl-1-benzofuran-2-yl)chromen-4-one
Also Known As: 6-bromo-2-(3,6-dimethyl-1-benzofuran-2-yl)chromen-4-one, 6-bromo-2-(3,6-dimethylbenzofuran-2-yl)-4H-chromen-4-one
| Molecular Formula | C19H13BrO3 |
|---|---|
| Molecular Weight | 368.00 g/mol |
| LogP | 5.58554 |
| Topological Polar Surface Area | 43.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 368.00482 |
| Heavy Atoms | 23 |
| Complexity | 1118.8207 |
Chemical Identifiers
| CAS Number | 85461-36-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=C(O2)C3=CC(=O)C4=C(O3)C=CC(=C4)Br)C |
Product Overview
6-bromo-2-(3,6-dimethylbenzofuran-2-yl)-4H-chromen-4-one (CAS 85461-36-5), with molecular formula C19H13BrO3 and molecular weight 368.00 g/mol. IUPAC: 6-bromo-2-(3,6-dimethyl-1-benzofuran-2-yl)chromen-4-one.
Chemical Property Profile of 6-bromo-2-(3,6-dimethylbenzofuran-2-yl)-4H-chromen-4-one
Property Insights of 6-bromo-2-(3,6-dimethylbenzofuran-2-yl)-4H-chromen-4-one
The XLogP value of 5.58554 indicates that 6-bromo-2-(3,6-dimethylbenzofuran-2-yl)-4H-chromen-4-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, 6-bromo-2-(3,6-dimethylbenzofuran-2-yl)-4H-chromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-bromo-2-(3,6-dimethylbenzofuran-2-yl)-4H-chromen-4-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 6-bromo-2-(3,6-dimethylbenzofuran-2-yl)-4H-chromen-4-one?
The CAS number of 6-bromo-2-(3,6-dimethylbenzofuran-2-yl)-4H-chromen-4-one is 85461-36-5.
What is the molecular formula of 6-bromo-2-(3,6-dimethylbenzofuran-2-yl)-4H-chromen-4-one?
The molecular formula of 6-bromo-2-(3,6-dimethylbenzofuran-2-yl)-4H-chromen-4-one is C19H13BrO3.
What is the molecular weight of 6-bromo-2-(3,6-dimethylbenzofuran-2-yl)-4H-chromen-4-one?
The molecular weight of 6-bromo-2-(3,6-dimethylbenzofuran-2-yl)-4H-chromen-4-one is 368.00 g/mol.
Where can I buy 6-bromo-2-(3,6-dimethylbenzofuran-2-yl)-4H-chromen-4-one?
You can request a quote for 6-bromo-2-(3,6-dimethylbenzofuran-2-yl)-4H-chromen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-bromo-2-(3,6-dimethylbenzofuran-2-yl)-4H-chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-bromo-2-(3,6-dimethylbenzofuran-2-yl)-4H-chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.