3-(2-(4-Chlorophenyl)-2-oxoethyl)-1(3H)-isobenzofuranone
TL;DR: 3-(2-(4-Chlorophenyl)-2-oxoethyl)-1(3H)-isobenzofuranone (CAS 69322-23-2) is a chemical compound with molecular formula C16H11ClO3 and molecular weight 286.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-chlorophenyl)-2-oxoethyl]-3H-2-benzofuran-1-one
Also Known As: Bionet2_001681, 3-[2-(4-chlorophenyl)-2-oxoethyl]-2-benzofuran-1(3H)-one, 3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-dihydro-2-benzofuran-1-one, 3-[2-(4-chlorophenyl)-2-oxoethyl]-1(3H)-isobenzofuranone, 3-[2-(4-chlorophenyl)-2-oxoethyl]-3H-2-benzofuran-1-one
| Molecular Formula | C16H11ClO3 |
|---|---|
| Molecular Weight | 286.04 g/mol |
| LogP | 3.8245 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.03967 |
| Heavy Atoms | 20 |
| Complexity | 676.3763 |
Chemical Identifiers
| CAS Number | 69322-23-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(OC2=O)CC(=O)C3=CC=C(C=C3)Cl |
Product Overview
3-(2-(4-Chlorophenyl)-2-oxoethyl)-1(3H)-isobenzofuranone (CAS 69322-23-2), with molecular formula C16H11ClO3 and molecular weight 286.04 g/mol. IUPAC: 3-[2-(4-chlorophenyl)-2-oxoethyl]-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-(2-(4-Chlorophenyl)-2-oxoethyl)-1(3H)-isobenzofuranone
Property Insights of 3-(2-(4-Chlorophenyl)-2-oxoethyl)-1(3H)-isobenzofuranone
The XLogP value of 3.8245 indicates that 3-(2-(4-Chlorophenyl)-2-oxoethyl)-1(3H)-isobenzofuranone 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-Chlorophenyl)-2-oxoethyl)-1(3H)-isobenzofuranone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-(4-Chlorophenyl)-2-oxoethyl)-1(3H)-isobenzofuranone 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-Chlorophenyl)-2-oxoethyl)-1(3H)-isobenzofuranone?
The CAS number of 3-(2-(4-Chlorophenyl)-2-oxoethyl)-1(3H)-isobenzofuranone is 69322-23-2.
What is the molecular formula of 3-(2-(4-Chlorophenyl)-2-oxoethyl)-1(3H)-isobenzofuranone?
The molecular formula of 3-(2-(4-Chlorophenyl)-2-oxoethyl)-1(3H)-isobenzofuranone is C16H11ClO3.
What is the molecular weight of 3-(2-(4-Chlorophenyl)-2-oxoethyl)-1(3H)-isobenzofuranone?
The molecular weight of 3-(2-(4-Chlorophenyl)-2-oxoethyl)-1(3H)-isobenzofuranone is 286.04 g/mol.
Where can I buy 3-(2-(4-Chlorophenyl)-2-oxoethyl)-1(3H)-isobenzofuranone?
You can request a quote for 3-(2-(4-Chlorophenyl)-2-oxoethyl)-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-Chlorophenyl)-2-oxoethyl)-1(3H)-isobenzofuranone?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-(4-Chlorophenyl)-2-oxoethyl)-1(3H)-isobenzofuranone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.