1,3-Isobenzofurandione, trimethyl-
TL;DR: 1,3-Isobenzofurandione, trimethyl- (CAS 98055-24-4) 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.
4,5,6-trimethyl-2-benzofuran-1,3-dione
Also Known As: 1,3-Isobenzofurandione, trimethyl-, 4,5,6-trimethyl-2-benzofuran-1,3-dione, 6-Hydroxymethylheptan-1,2,7-triol, 3,4,5-trimethyl-phthalic acid-anhydride, 4,5,6-trimethylisobenzofuran-1,3-dione
| Molecular Formula | C11H10O3 |
|---|---|
| Molecular Weight | 190.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.06299 |
| Heavy Atoms | 14 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 98055-24-4 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1C)C)C(=O)OC2=O |
| InChIKey | XOXALLUPWZVQKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Isobenzofurandione, trimethyl- (CAS 98055-24-4), with molecular formula C11H10O3 and molecular weight 190.06 g/mol. IUPAC: 4,5,6-trimethyl-2-benzofuran-1,3-dione.
Chemical Property Profile of 1,3-Isobenzofurandione, trimethyl-
Property Insights of 1,3-Isobenzofurandione, trimethyl-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Isobenzofurandione, trimethyl-. With a topological polar surface area (TPSA) of 43.4 Ų, 1,3-Isobenzofurandione, trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Isobenzofurandione, trimethyl- 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 1,3-Isobenzofurandione, trimethyl-?
The CAS number of 1,3-Isobenzofurandione, trimethyl- is 98055-24-4.
What is the molecular formula of 1,3-Isobenzofurandione, trimethyl-?
The molecular formula of 1,3-Isobenzofurandione, trimethyl- is C11H10O3.
What is the molecular weight of 1,3-Isobenzofurandione, trimethyl-?
The molecular weight of 1,3-Isobenzofurandione, trimethyl- is 190.06 g/mol.
Where can I buy 1,3-Isobenzofurandione, trimethyl-?
You can request a quote for 1,3-Isobenzofurandione, trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Isobenzofurandione, trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Isobenzofurandione, trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.