3-(2-(4-bromophenyl)-2-oxoethyl)isobenzofuran-1(3H)-one
TL;DR: 3-(2-(4-bromophenyl)-2-oxoethyl)isobenzofuran-1(3H)-one (CAS 702648-88-2) 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-[2-(4-bromophenyl)-2-oxoethyl]-3H-2-benzofuran-1-one
Also Known As: 3-(2-(4-bromophenyl)-2-oxoethyl)isobenzofuran-1(3H)-one, F3161-0377, J3.705.452F, VU0510883-1, 1-(p-bromophenyl)-2-(3-phthalideyl)-1-ethanone
| Molecular Formula | C16H11BrO3 |
|---|---|
| Molecular Weight | 329.99 g/mol |
| LogP | 3.9336 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.98917 |
| Heavy Atoms | 20 |
| Complexity | 676.3763 |
Chemical Identifiers
| CAS Number | 702648-88-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(OC2=O)CC(=O)C3=CC=C(C=C3)Br |
Product Overview
3-(2-(4-bromophenyl)-2-oxoethyl)isobenzofuran-1(3H)-one (CAS 702648-88-2), with molecular formula C16H11BrO3 and molecular weight 329.99 g/mol. IUPAC: 3-[2-(4-bromophenyl)-2-oxoethyl]-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-(2-(4-bromophenyl)-2-oxoethyl)isobenzofuran-1(3H)-one
Property Insights of 3-(2-(4-bromophenyl)-2-oxoethyl)isobenzofuran-1(3H)-one
The XLogP value of 3.9336 indicates that 3-(2-(4-bromophenyl)-2-oxoethyl)isobenzofuran-1(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 3-(2-(4-bromophenyl)-2-oxoethyl)isobenzofuran-1(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-(4-bromophenyl)-2-oxoethyl)isobenzofuran-1(3H)-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-(4-bromophenyl)-2-oxoethyl)isobenzofuran-1(3H)-one?
The CAS number of 3-(2-(4-bromophenyl)-2-oxoethyl)isobenzofuran-1(3H)-one is 702648-88-2.
What is the molecular formula of 3-(2-(4-bromophenyl)-2-oxoethyl)isobenzofuran-1(3H)-one?
The molecular formula of 3-(2-(4-bromophenyl)-2-oxoethyl)isobenzofuran-1(3H)-one is C16H11BrO3.
What is the molecular weight of 3-(2-(4-bromophenyl)-2-oxoethyl)isobenzofuran-1(3H)-one?
The molecular weight of 3-(2-(4-bromophenyl)-2-oxoethyl)isobenzofuran-1(3H)-one is 329.99 g/mol.
Where can I buy 3-(2-(4-bromophenyl)-2-oxoethyl)isobenzofuran-1(3H)-one?
You can request a quote for 3-(2-(4-bromophenyl)-2-oxoethyl)isobenzofuran-1(3H)-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-(4-bromophenyl)-2-oxoethyl)isobenzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-(4-bromophenyl)-2-oxoethyl)isobenzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.