3-Benzoyl-6,8-dibromochromen-2-one
TL;DR: 3-Benzoyl-6,8-dibromochromen-2-one (CAS 2199-84-0) is a chemical compound with molecular formula C16H8Br2O3 and molecular weight 405.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzoyl-6,8-dibromochromen-2-one
Also Known As: 3-benzoyl-6,8-dibromochromen-2-one, 3-Benzoyl-6,8-dibromo-2H-1-benzopyran-2-one, 3-benzoyl-6,8-dibromo-chromen-2-one, 3-benzoyl-6,8-dibromo-2H-chromen-2-one, 6,8-dibromo-3-(phenylcarbonyl)-2H-chromen-2-one
| Molecular Formula | C16H8Br2O3 |
|---|---|
| Molecular Weight | 405.88 g/mol |
| LogP | 4.549 |
| Topological Polar Surface Area | 47.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 405.88403 |
| Heavy Atoms | 21 |
| Complexity | 898.5343 |
Chemical Identifiers
| CAS Number | 2199-84-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC3=CC(=CC(=C3OC2=O)Br)Br |
Product Overview
3-Benzoyl-6,8-dibromochromen-2-one (CAS 2199-84-0), with molecular formula C16H8Br2O3 and molecular weight 405.88 g/mol. IUPAC: 3-benzoyl-6,8-dibromochromen-2-one.
Chemical Property Profile of 3-Benzoyl-6,8-dibromochromen-2-one
Property Insights of 3-Benzoyl-6,8-dibromochromen-2-one
The XLogP value of 4.549 indicates that 3-Benzoyl-6,8-dibromochromen-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, 3-Benzoyl-6,8-dibromochromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzoyl-6,8-dibromochromen-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 3-Benzoyl-6,8-dibromochromen-2-one?
The CAS number of 3-Benzoyl-6,8-dibromochromen-2-one is 2199-84-0.
What is the molecular formula of 3-Benzoyl-6,8-dibromochromen-2-one?
The molecular formula of 3-Benzoyl-6,8-dibromochromen-2-one is C16H8Br2O3.
What is the molecular weight of 3-Benzoyl-6,8-dibromochromen-2-one?
The molecular weight of 3-Benzoyl-6,8-dibromochromen-2-one is 405.88 g/mol.
Where can I buy 3-Benzoyl-6,8-dibromochromen-2-one?
You can request a quote for 3-Benzoyl-6,8-dibromochromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzoyl-6,8-dibromochromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzoyl-6,8-dibromochromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.