3-(2-bromoacetyl)-6,8-dichloro-2H-chromen-2-one
TL;DR: 3-(2-bromoacetyl)-6,8-dichloro-2H-chromen-2-one (CAS 155160-81-9) is a chemical compound with molecular formula C11H5BrCl2O3 and molecular weight 333.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-bromoacetyl)-6,8-dichlorochromen-2-one
Also Known As: 3-(2-bromoacetyl)-6,8-dichloro-2H-chromen-2-one, J2.667.608H, 3-(2-bromoacetyl)-6,8-dichlorochromen-2-one, 3-(2-bromoacetyl)-6,8-dichloro-chromen-2-one, 3-(Bromoacetyl)-6,8-dichloro-2H-1-benzopyran-2-one
| Molecular Formula | C11H5BrCl2O3 |
|---|---|
| Molecular Weight | 333.88 g/mol |
| LogP | 3.6774 |
| Topological Polar Surface Area | 47.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.8799 |
| Heavy Atoms | 17 |
| Complexity | 663.5495 |
Chemical Identifiers
| CAS Number | 155160-81-9 |
|---|---|
| SMILES | C1=C2C=C(C(=O)OC2=C(C=C1Cl)Cl)C(=O)CBr |
Product Overview
3-(2-bromoacetyl)-6,8-dichloro-2H-chromen-2-one (CAS 155160-81-9), with molecular formula C11H5BrCl2O3 and molecular weight 333.88 g/mol. IUPAC: 3-(2-bromoacetyl)-6,8-dichlorochromen-2-one.
Chemical Property Profile of 3-(2-bromoacetyl)-6,8-dichloro-2H-chromen-2-one
Property Insights of 3-(2-bromoacetyl)-6,8-dichloro-2H-chromen-2-one
The XLogP value of 3.6774 indicates that 3-(2-bromoacetyl)-6,8-dichloro-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, 3-(2-bromoacetyl)-6,8-dichloro-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-bromoacetyl)-6,8-dichloro-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 3-(2-bromoacetyl)-6,8-dichloro-2H-chromen-2-one?
The CAS number of 3-(2-bromoacetyl)-6,8-dichloro-2H-chromen-2-one is 155160-81-9.
What is the molecular formula of 3-(2-bromoacetyl)-6,8-dichloro-2H-chromen-2-one?
The molecular formula of 3-(2-bromoacetyl)-6,8-dichloro-2H-chromen-2-one is C11H5BrCl2O3.
What is the molecular weight of 3-(2-bromoacetyl)-6,8-dichloro-2H-chromen-2-one?
The molecular weight of 3-(2-bromoacetyl)-6,8-dichloro-2H-chromen-2-one is 333.88 g/mol.
Where can I buy 3-(2-bromoacetyl)-6,8-dichloro-2H-chromen-2-one?
You can request a quote for 3-(2-bromoacetyl)-6,8-dichloro-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 3-(2-bromoacetyl)-6,8-dichloro-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-bromoacetyl)-6,8-dichloro-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.