4,6,7-Trimethyl-3H-benzofuran-2-one
TL;DR: 4,6,7-Trimethyl-3H-benzofuran-2-one (CAS 70950-48-0) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6,7-trimethyl-3H-1-benzofuran-2-one
Also Known As: EINECS 275-051-7, 4,6,7-Trimethyl-3H-benzofuran-2-one, 4,6,7-trimethyl-3H-1-benzofuran-2-one, 2(3H)-Benzofuranone, 4,6,7-trimethyl-, 4,6,7-Trimethyl-2(3H)-benzofuranone
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 2.07336 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 391.56702 |
Chemical Identifiers
| CAS Number | 70950-48-0 |
|---|---|
| SMILES | CC1=CC(=C2CC(=O)OC2=C1C)C |
Product Overview
4,6,7-Trimethyl-3H-benzofuran-2-one (CAS 70950-48-0), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: 4,6,7-trimethyl-3H-1-benzofuran-2-one.
Chemical Property Profile of 4,6,7-Trimethyl-3H-benzofuran-2-one
Property Insights of 4,6,7-Trimethyl-3H-benzofuran-2-one
The XLogP value of 2.07336 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6,7-Trimethyl-3H-benzofuran-2-one. With a topological polar surface area (TPSA) of 26.3 Ų, 4,6,7-Trimethyl-3H-benzofuran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6,7-Trimethyl-3H-benzofuran-2-one has 0 hydrogen bond donor(s) and 2 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 4,6,7-Trimethyl-3H-benzofuran-2-one?
The CAS number of 4,6,7-Trimethyl-3H-benzofuran-2-one is 70950-48-0.
What is the molecular formula of 4,6,7-Trimethyl-3H-benzofuran-2-one?
The molecular formula of 4,6,7-Trimethyl-3H-benzofuran-2-one is C11H12O2.
What is the molecular weight of 4,6,7-Trimethyl-3H-benzofuran-2-one?
The molecular weight of 4,6,7-Trimethyl-3H-benzofuran-2-one is 176.08 g/mol.
Where can I buy 4,6,7-Trimethyl-3H-benzofuran-2-one?
You can request a quote for 4,6,7-Trimethyl-3H-benzofuran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6,7-Trimethyl-3H-benzofuran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4,6,7-Trimethyl-3H-benzofuran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.