3-Bromo-2-(4-methoxyphenyl)chroman-4-one
TL;DR: 3-Bromo-2-(4-methoxyphenyl)chroman-4-one (CAS 14221-66-0) is a chemical compound with molecular formula C16H13BrO3 and molecular weight 332.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Also Known As: 3-bromo-2-(4-methoxyphenyl)chroman-4-one, 3-bromo-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one, 4H-1-Benzopyran-4-one, 3-bromo-2,3-dihydro-2-(4-methoxyphenyl)-
| Molecular Formula | C16H13BrO3 |
|---|---|
| Molecular Weight | 332.00 g/mol |
| LogP | 3.7751 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.00482 |
| Heavy Atoms | 20 |
| Complexity | 636.4252 |
Chemical Identifiers
| CAS Number | 14221-66-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C(C(=O)C3=CC=CC=C3O2)Br |
Product Overview
3-Bromo-2-(4-methoxyphenyl)chroman-4-one (CAS 14221-66-0), with molecular formula C16H13BrO3 and molecular weight 332.00 g/mol. IUPAC: 3-bromo-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one.
Chemical Property Profile of 3-Bromo-2-(4-methoxyphenyl)chroman-4-one
Property Insights of 3-Bromo-2-(4-methoxyphenyl)chroman-4-one
The XLogP value of 3.7751 indicates that 3-Bromo-2-(4-methoxyphenyl)chroman-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 3-Bromo-2-(4-methoxyphenyl)chroman-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-2-(4-methoxyphenyl)chroman-4-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-Bromo-2-(4-methoxyphenyl)chroman-4-one?
The CAS number of 3-Bromo-2-(4-methoxyphenyl)chroman-4-one is 14221-66-0.
What is the molecular formula of 3-Bromo-2-(4-methoxyphenyl)chroman-4-one?
The molecular formula of 3-Bromo-2-(4-methoxyphenyl)chroman-4-one is C16H13BrO3.
What is the molecular weight of 3-Bromo-2-(4-methoxyphenyl)chroman-4-one?
The molecular weight of 3-Bromo-2-(4-methoxyphenyl)chroman-4-one is 332.00 g/mol.
Where can I buy 3-Bromo-2-(4-methoxyphenyl)chroman-4-one?
You can request a quote for 3-Bromo-2-(4-methoxyphenyl)chroman-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-2-(4-methoxyphenyl)chroman-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-2-(4-methoxyphenyl)chroman-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.