3-(4-Bromophenyl)-7-methoxychromen-2-one
TL;DR: 3-(4-Bromophenyl)-7-methoxychromen-2-one (CAS 332104-52-6) is a chemical compound with molecular formula C16H11BrO3 and molecular weight 329.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-7-methoxychromen-2-one
Also Known As: 3-(4'-Bromophenyl)-7-methoxycoumarin, 3-(4-bromophenyl)-7-methoxychromen-2-one, 3(4'-Bromophenyl)-7-methoxycoumarin, 3-(4-Bromo-phenyl)-7-methoxy-chromen-2-one, 2h-1-benzopyran-2-one, 3-(4-bromophenyl)-7-methoxy
| Molecular Formula | C16H11BrO3 |
|---|---|
| Molecular Weight | 329.99 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.98917 |
| Heavy Atoms | 20 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 332104-52-6 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=C(C=C3)Br |
| InChIKey | BJRAVYIGDWDTIC-UHFFFAOYSA-N |
Product Overview
3-(4-Bromophenyl)-7-methoxychromen-2-one (CAS 332104-52-6), with molecular formula C16H11BrO3 and molecular weight 329.99 g/mol. IUPAC: 3-(4-bromophenyl)-7-methoxychromen-2-one.
Chemical Property Profile of 3-(4-Bromophenyl)-7-methoxychromen-2-one
Property Insights of 3-(4-Bromophenyl)-7-methoxychromen-2-one
The XLogP value of 4.2 indicates that 3-(4-Bromophenyl)-7-methoxychromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 3-(4-Bromophenyl)-7-methoxychromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Bromophenyl)-7-methoxychromen-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-(4-Bromophenyl)-7-methoxychromen-2-one?
The CAS number of 3-(4-Bromophenyl)-7-methoxychromen-2-one is 332104-52-6.
What is the molecular formula of 3-(4-Bromophenyl)-7-methoxychromen-2-one?
The molecular formula of 3-(4-Bromophenyl)-7-methoxychromen-2-one is C16H11BrO3.
What is the molecular weight of 3-(4-Bromophenyl)-7-methoxychromen-2-one?
The molecular weight of 3-(4-Bromophenyl)-7-methoxychromen-2-one is 329.99 g/mol.
Where can I buy 3-(4-Bromophenyl)-7-methoxychromen-2-one?
You can request a quote for 3-(4-Bromophenyl)-7-methoxychromen-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)-7-methoxychromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromophenyl)-7-methoxychromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.