1(3H)-Isobenzofuranone, 3-(2-oxo-2-phenylethyl)-
TL;DR: 1(3H)-Isobenzofuranone, 3-(2-oxo-2-phenylethyl)- (CAS 13203-89-9) is a chemical compound with molecular formula C16H12O3 and molecular weight 252.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenacyl-3H-2-benzofuran-1-one
Also Known As: 3-Phenacylphthalide, 3-Phenacylphthalan-1-one, 3-phenacyl-3H-2-benzofuran-1-one, 1(3H)-Isobenzofuranone, 3-(2-oxo-2-phenylethyl)-, 3-Phenacyl-1(3H)-isobenzofuranone
| Molecular Formula | C16H12O3 |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 3.1711 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.07864 |
| Heavy Atoms | 19 |
| Complexity | 631.45215 |
Chemical Identifiers
| CAS Number | 13203-89-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CC2C3=CC=CC=C3C(=O)O2 |
Product Overview
1(3H)-Isobenzofuranone, 3-(2-oxo-2-phenylethyl)- (CAS 13203-89-9), with molecular formula C16H12O3 and molecular weight 252.08 g/mol. IUPAC: 3-phenacyl-3H-2-benzofuran-1-one.
Chemical Property Profile of 1(3H)-Isobenzofuranone, 3-(2-oxo-2-phenylethyl)-
Property Insights of 1(3H)-Isobenzofuranone, 3-(2-oxo-2-phenylethyl)-
The XLogP value of 3.1711 indicates that 1(3H)-Isobenzofuranone, 3-(2-oxo-2-phenylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 1(3H)-Isobenzofuranone, 3-(2-oxo-2-phenylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(3H)-Isobenzofuranone, 3-(2-oxo-2-phenylethyl)- 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 1(3H)-Isobenzofuranone, 3-(2-oxo-2-phenylethyl)-?
The CAS number of 1(3H)-Isobenzofuranone, 3-(2-oxo-2-phenylethyl)- is 13203-89-9.
What is the molecular formula of 1(3H)-Isobenzofuranone, 3-(2-oxo-2-phenylethyl)-?
The molecular formula of 1(3H)-Isobenzofuranone, 3-(2-oxo-2-phenylethyl)- is C16H12O3.
What is the molecular weight of 1(3H)-Isobenzofuranone, 3-(2-oxo-2-phenylethyl)-?
The molecular weight of 1(3H)-Isobenzofuranone, 3-(2-oxo-2-phenylethyl)- is 252.08 g/mol.
Where can I buy 1(3H)-Isobenzofuranone, 3-(2-oxo-2-phenylethyl)-?
You can request a quote for 1(3H)-Isobenzofuranone, 3-(2-oxo-2-phenylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(3H)-Isobenzofuranone, 3-(2-oxo-2-phenylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1(3H)-Isobenzofuranone, 3-(2-oxo-2-phenylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.