![3-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-1(3H)-isobenzofuranone structure](/static/products/297/297773-06-9.png)
3-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-1(3H)-isobenzofuranone
TL;DR: 3-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-1(3H)-isobenzofuranone (CAS 297773-06-9) is a chemical compound with molecular formula C18H15BrO5 and molecular weight 390.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-3H-2-benzofuran-1-one
Also Known As: BAS 01836579, 3-(2-(4-bromophenyl)-2-oxoethyl)-6,7-dimethoxyisobenzofuran-1(3H)-one, 3-[2-(4-Bromo-phenyl)-2-oxo-ethyl]-6,7-dimethoxy-3H-isobenzofuran-1-one, 3-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-1(3H)-isobenzofuranone, 3-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-2-benzofuran-1(3H)-one
| Molecular Formula | C18H15BrO5 |
|---|---|
| Molecular Weight | 390.01 g/mol |
| LogP | 3.9508 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.01028 |
| Heavy Atoms | 24 |
| Complexity | 797.8016 |
Chemical Identifiers
| CAS Number | 297773-06-9 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(OC2=O)CC(=O)C3=CC=C(C=C3)Br)OC |
Product Overview
3-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-1(3H)-isobenzofuranone (CAS 297773-06-9), with molecular formula C18H15BrO5 and molecular weight 390.01 g/mol. IUPAC: 3-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-1(3H)-isobenzofuranone
Property Insights of 3-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-1(3H)-isobenzofuranone
The XLogP value of 3.9508 indicates that 3-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-1(3H)-isobenzofuranone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-1(3H)-isobenzofuranone. Following Lipinski's Rule of Five, 3-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-1(3H)-isobenzofuranone has 0 hydrogen bond donor(s) and 5 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]-6,7-dimethoxy-1(3H)-isobenzofuranone?
The CAS number of 3-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-1(3H)-isobenzofuranone is 297773-06-9.
What is the molecular formula of 3-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-1(3H)-isobenzofuranone?
The molecular formula of 3-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-1(3H)-isobenzofuranone is C18H15BrO5.
What is the molecular weight of 3-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-1(3H)-isobenzofuranone?
The molecular weight of 3-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-1(3H)-isobenzofuranone is 390.01 g/mol.
Where can I buy 3-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-1(3H)-isobenzofuranone?
You can request a quote for 3-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-1(3H)-isobenzofuranone 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]-6,7-dimethoxy-1(3H)-isobenzofuranone?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-1(3H)-isobenzofuranone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.