3-(3-Bromophenyl)-4-methylchromen-2-one
TL;DR: 3-(3-Bromophenyl)-4-methylchromen-2-one (CAS 720674-16-8) is a chemical compound with molecular formula C16H11BrO2 and molecular weight 313.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-bromophenyl)-4-methylchromen-2-one
Also Known As: 3(3'-Bromophenyl)-4-methylcoumarin, 3-(3'-Bromophenyl)-4-methylcoumarin, 3-(3-bromophenyl)-4-methylchromen-2-one, 3-(3 inverted exclamation mark -Bromophenyl)-4-methylcoumarin
| Molecular Formula | C16H11BrO2 |
|---|---|
| Molecular Weight | 313.99 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.99423 |
| Heavy Atoms | 19 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 720674-16-8 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=CC=CC=C12)C3=CC(=CC=C3)Br |
| InChIKey | KZSSDNUKQDGMEZ-UHFFFAOYSA-N |
Product Overview
3-(3-Bromophenyl)-4-methylchromen-2-one (CAS 720674-16-8), with molecular formula C16H11BrO2 and molecular weight 313.99 g/mol. IUPAC: 3-(3-bromophenyl)-4-methylchromen-2-one.
Chemical Property Profile of 3-(3-Bromophenyl)-4-methylchromen-2-one
Property Insights of 3-(3-Bromophenyl)-4-methylchromen-2-one
The XLogP value of 4.2 indicates that 3-(3-Bromophenyl)-4-methylchromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-(3-Bromophenyl)-4-methylchromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Bromophenyl)-4-methylchromen-2-one has 0 hydrogen bond donor(s) and 2 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-(3-Bromophenyl)-4-methylchromen-2-one?
The CAS number of 3-(3-Bromophenyl)-4-methylchromen-2-one is 720674-16-8.
What is the molecular formula of 3-(3-Bromophenyl)-4-methylchromen-2-one?
The molecular formula of 3-(3-Bromophenyl)-4-methylchromen-2-one is C16H11BrO2.
What is the molecular weight of 3-(3-Bromophenyl)-4-methylchromen-2-one?
The molecular weight of 3-(3-Bromophenyl)-4-methylchromen-2-one is 313.99 g/mol.
Where can I buy 3-(3-Bromophenyl)-4-methylchromen-2-one?
You can request a quote for 3-(3-Bromophenyl)-4-methylchromen-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-(3-Bromophenyl)-4-methylchromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Bromophenyl)-4-methylchromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.