3-(4-Bromophenyl)-6-chloro-4,5,7-trimethylchromen-2-one
TL;DR: 3-(4-Bromophenyl)-6-chloro-4,5,7-trimethylchromen-2-one (CAS 720674-93-1) is a chemical compound with molecular formula C18H14BrClO2 and molecular weight 375.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-6-chloro-4,5,7-trimethylchromen-2-one
Also Known As: 3-(4-bromophenyl)-6-chloro-4,5,7-trimethylchromen-2-one, 3-(4'-Bromophenyl)-6-chloro-4,5,7-trimethylcoumarin, 3(4'-Bromophenyl)-6-chloro-4,5,7-trimethylcoumarin, 3-(4-bromophenyl)-6-chloro-4,5,7-trimethyl-chromen-2-one, 3-(4 inverted exclamation mark -Bromophenyl)-6-chloro-4,5,7-trimethylcoumarin
| Molecular Formula | C18H14BrClO2 |
|---|---|
| Molecular Weight | 375.99 g/mol |
| LogP | 5.80116 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 375.98657 |
| Heavy Atoms | 22 |
| Complexity | 940.1889 |
Chemical Identifiers
| CAS Number | 720674-93-1 |
|---|---|
| SMILES | CC1=CC2=C(C(=C(C(=O)O2)C3=CC=C(C=C3)Br)C)C(=C1Cl)C |
Product Overview
3-(4-Bromophenyl)-6-chloro-4,5,7-trimethylchromen-2-one (CAS 720674-93-1), with molecular formula C18H14BrClO2 and molecular weight 375.99 g/mol. IUPAC: 3-(4-bromophenyl)-6-chloro-4,5,7-trimethylchromen-2-one.
Chemical Property Profile of 3-(4-Bromophenyl)-6-chloro-4,5,7-trimethylchromen-2-one
Property Insights of 3-(4-Bromophenyl)-6-chloro-4,5,7-trimethylchromen-2-one
The XLogP value of 5.80116 indicates that 3-(4-Bromophenyl)-6-chloro-4,5,7-trimethylchromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.21 Ų, 3-(4-Bromophenyl)-6-chloro-4,5,7-trimethylchromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Bromophenyl)-6-chloro-4,5,7-trimethylchromen-2-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-Bromophenyl)-6-chloro-4,5,7-trimethylchromen-2-one?
The CAS number of 3-(4-Bromophenyl)-6-chloro-4,5,7-trimethylchromen-2-one is 720674-93-1.
What is the molecular formula of 3-(4-Bromophenyl)-6-chloro-4,5,7-trimethylchromen-2-one?
The molecular formula of 3-(4-Bromophenyl)-6-chloro-4,5,7-trimethylchromen-2-one is C18H14BrClO2.
What is the molecular weight of 3-(4-Bromophenyl)-6-chloro-4,5,7-trimethylchromen-2-one?
The molecular weight of 3-(4-Bromophenyl)-6-chloro-4,5,7-trimethylchromen-2-one is 375.99 g/mol.
Where can I buy 3-(4-Bromophenyl)-6-chloro-4,5,7-trimethylchromen-2-one?
You can request a quote for 3-(4-Bromophenyl)-6-chloro-4,5,7-trimethylchromen-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-(4-Bromophenyl)-6-chloro-4,5,7-trimethylchromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromophenyl)-6-chloro-4,5,7-trimethylchromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.