3-(2-Oxopropyl)isobenzofuran-1(3H)-one
TL;DR: 3-(2-Oxopropyl)isobenzofuran-1(3H)-one (CAS 124033-31-4) is a chemical compound with molecular formula C11H10O3 and molecular weight 190.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-oxopropyl)-3H-2-benzofuran-1-one
Also Known As: 3-(2-Oxopropyl)isobenzofuran-1(3H)-one, 3-acetonyl-3H-isobenzofuran-1-one, 3-(2-oxopropyl)-3H-2-benzofuran-1-one, 3-(2-oxopropyl)-3H-isobenzofuran-1-one, 3-(2-oxopropyl)-2-benzofuran-1(3H)-one
| Molecular Formula | C11H10O3 |
|---|---|
| Molecular Weight | 190.06 g/mol |
| LogP | 1.8772 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.06299 |
| Heavy Atoms | 14 |
| Complexity | 393.27405 |
Chemical Identifiers
| CAS Number | 124033-31-4 |
|---|---|
| SMILES | CC(=O)CC1C2=CC=CC=C2C(=O)O1 |
Product Overview
3-(2-Oxopropyl)isobenzofuran-1(3H)-one (CAS 124033-31-4), with molecular formula C11H10O3 and molecular weight 190.06 g/mol. IUPAC: 3-(2-oxopropyl)-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-(2-Oxopropyl)isobenzofuran-1(3H)-one
Property Insights of 3-(2-Oxopropyl)isobenzofuran-1(3H)-one
The XLogP value of 1.8772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Oxopropyl)isobenzofuran-1(3H)-one. With a topological polar surface area (TPSA) of 43.37 Ų, 3-(2-Oxopropyl)isobenzofuran-1(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Oxopropyl)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-Oxopropyl)isobenzofuran-1(3H)-one?
The CAS number of 3-(2-Oxopropyl)isobenzofuran-1(3H)-one is 124033-31-4.
What is the molecular formula of 3-(2-Oxopropyl)isobenzofuran-1(3H)-one?
The molecular formula of 3-(2-Oxopropyl)isobenzofuran-1(3H)-one is C11H10O3.
What is the molecular weight of 3-(2-Oxopropyl)isobenzofuran-1(3H)-one?
The molecular weight of 3-(2-Oxopropyl)isobenzofuran-1(3H)-one is 190.06 g/mol.
Where can I buy 3-(2-Oxopropyl)isobenzofuran-1(3H)-one?
You can request a quote for 3-(2-Oxopropyl)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-Oxopropyl)isobenzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Oxopropyl)isobenzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.