2H-1-Benzopyran-2-one, 3-benzoyl-6-bromo-
TL;DR: 2H-1-Benzopyran-2-one, 3-benzoyl-6-bromo- (CAS 2199-85-1) is a chemical compound with molecular formula C16H9BrO3 and molecular weight 327.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzoyl-6-bromochromen-2-one
Also Known As: 3-benzoyl-6-bromo-2H-chromen-2-one, 3-benzoyl-6-bromochromen-2-one, 6-bromo-3-benzoyl coumarin, 2H-1-Benzopyran-2-one, 3-benzoyl-6-bromo-, 3-Benzoyl-6-bromo-2H-1-benzopyran-2-one
| Molecular Formula | C16H9BrO3 |
|---|---|
| Molecular Weight | 327.97 g/mol |
| LogP | 3.7865 |
| Topological Polar Surface Area | 47.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.9735 |
| Heavy Atoms | 20 |
| Complexity | 850.47504 |
Chemical Identifiers
| CAS Number | 2199-85-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O |
Product Overview
2H-1-Benzopyran-2-one, 3-benzoyl-6-bromo- (CAS 2199-85-1), with molecular formula C16H9BrO3 and molecular weight 327.97 g/mol. IUPAC: 3-benzoyl-6-bromochromen-2-one.
Chemical Property Profile of 2H-1-Benzopyran-2-one, 3-benzoyl-6-bromo-
Property Insights of 2H-1-Benzopyran-2-one, 3-benzoyl-6-bromo-
The XLogP value of 3.7865 indicates that 2H-1-Benzopyran-2-one, 3-benzoyl-6-bromo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.28 Ų, 2H-1-Benzopyran-2-one, 3-benzoyl-6-bromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran-2-one, 3-benzoyl-6-bromo- 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 2H-1-Benzopyran-2-one, 3-benzoyl-6-bromo-?
The CAS number of 2H-1-Benzopyran-2-one, 3-benzoyl-6-bromo- is 2199-85-1.
What is the molecular formula of 2H-1-Benzopyran-2-one, 3-benzoyl-6-bromo-?
The molecular formula of 2H-1-Benzopyran-2-one, 3-benzoyl-6-bromo- is C16H9BrO3.
What is the molecular weight of 2H-1-Benzopyran-2-one, 3-benzoyl-6-bromo-?
The molecular weight of 2H-1-Benzopyran-2-one, 3-benzoyl-6-bromo- is 327.97 g/mol.
Where can I buy 2H-1-Benzopyran-2-one, 3-benzoyl-6-bromo-?
You can request a quote for 2H-1-Benzopyran-2-one, 3-benzoyl-6-bromo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1-Benzopyran-2-one, 3-benzoyl-6-bromo-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-2-one, 3-benzoyl-6-bromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.