3-Methyl-3-(1-methyl-3-oxo-isobenzofuran-1-yl)isobenzofuran-1-one
TL;DR: 3-Methyl-3-(1-methyl-3-oxo-isobenzofuran-1-yl)isobenzofuran-1-one (CAS 61613-17-0) is a chemical compound with molecular formula C18H14O4 and molecular weight 294.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-3-(1-methyl-3-oxo-2-benzofuran-1-yl)-2-benzofuran-1-one
Also Known As: NCI60_035900, 1,1'-Dimethyl-[1,1'-biisobenzofuran]-3,3'(1H,1'H)-dione, [1,1'-Biisobenzofuran]-3,3'(1H,1'H)-dione, 1,1'-dimethyl-, 3-methyl-3-(1-methyl-3-oxo-2-benzofuran-1-yl)-2-benzofuran-1-one, 3-methyl-3-(1-methyl-3-oxo-isobenzofuran-1-yl)isobenzofuran-1-one
| Molecular Formula | C18H14O4 |
|---|---|
| Molecular Weight | 294.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 294.0892 |
| Heavy Atoms | 22 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 61613-17-0 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2C(=O)O1)C3(C4=CC=CC=C4C(=O)O3)C |
| InChIKey | XCHFZQHAUQXSMG-UHFFFAOYSA-N |
Product Overview
3-Methyl-3-(1-methyl-3-oxo-isobenzofuran-1-yl)isobenzofuran-1-one (CAS 61613-17-0), with molecular formula C18H14O4 and molecular weight 294.09 g/mol. IUPAC: 3-methyl-3-(1-methyl-3-oxo-2-benzofuran-1-yl)-2-benzofuran-1-one.
Chemical Property Profile of 3-Methyl-3-(1-methyl-3-oxo-isobenzofuran-1-yl)isobenzofuran-1-one
Property Insights of 3-Methyl-3-(1-methyl-3-oxo-isobenzofuran-1-yl)isobenzofuran-1-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-3-(1-methyl-3-oxo-isobenzofuran-1-yl)isobenzofuran-1-one. With a topological polar surface area (TPSA) of 52.6 Ų, 3-Methyl-3-(1-methyl-3-oxo-isobenzofuran-1-yl)isobenzofuran-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-3-(1-methyl-3-oxo-isobenzofuran-1-yl)isobenzofuran-1-one has 0 hydrogen bond donor(s) and 4 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-Methyl-3-(1-methyl-3-oxo-isobenzofuran-1-yl)isobenzofuran-1-one?
The CAS number of 3-Methyl-3-(1-methyl-3-oxo-isobenzofuran-1-yl)isobenzofuran-1-one is 61613-17-0.
What is the molecular formula of 3-Methyl-3-(1-methyl-3-oxo-isobenzofuran-1-yl)isobenzofuran-1-one?
The molecular formula of 3-Methyl-3-(1-methyl-3-oxo-isobenzofuran-1-yl)isobenzofuran-1-one is C18H14O4.
What is the molecular weight of 3-Methyl-3-(1-methyl-3-oxo-isobenzofuran-1-yl)isobenzofuran-1-one?
The molecular weight of 3-Methyl-3-(1-methyl-3-oxo-isobenzofuran-1-yl)isobenzofuran-1-one is 294.09 g/mol.
Where can I buy 3-Methyl-3-(1-methyl-3-oxo-isobenzofuran-1-yl)isobenzofuran-1-one?
You can request a quote for 3-Methyl-3-(1-methyl-3-oxo-isobenzofuran-1-yl)isobenzofuran-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-3-(1-methyl-3-oxo-isobenzofuran-1-yl)isobenzofuran-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-3-(1-methyl-3-oxo-isobenzofuran-1-yl)isobenzofuran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.