1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4,4,7-trimethyl-
TL;DR: 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4,4,7-trimethyl- (CAS 54824-11-2) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7,7-trimethyl-4,7a-dihydro-3aH-2-benzofuran-1,3-dione
Also Known As: 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4,4,7-trimethyl-, 3a,4,7,7a-Tetrahydro-4,4,7-trimethyl-1,3-isobenzofurandione, 4,4,7-Trimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione, 4,7,7-trimethyl-4,7a-dihydro-3aH-2-benzofuran-1,3-dione, 4,4,7-trimethyl-1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 54824-11-2 |
|---|---|
| SMILES | CC1C=CC(C2C1C(=O)OC2=O)(C)C |
| InChIKey | YSSBNDQFAJTNAL-UHFFFAOYSA-N |
Product Overview
1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4,4,7-trimethyl- (CAS 54824-11-2), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 4,7,7-trimethyl-4,7a-dihydro-3aH-2-benzofuran-1,3-dione.
Chemical Property Profile of 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4,4,7-trimethyl-
Property Insights of 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4,4,7-trimethyl-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4,4,7-trimethyl-. With a topological polar surface area (TPSA) of 43.4 Ų, 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4,4,7-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4,4,7-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, 3a,4,7,7a-tetrahydro-4,4,7-trimethyl-?
The CAS number of 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4,4,7-trimethyl- is 54824-11-2.
What is the molecular formula of 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4,4,7-trimethyl-?
The molecular formula of 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4,4,7-trimethyl- is C11H14O3.
What is the molecular weight of 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4,4,7-trimethyl-?
The molecular weight of 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4,4,7-trimethyl- is 194.09 g/mol.
Where can I buy 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4,4,7-trimethyl-?
You can request a quote for 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4,4,7-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, 3a,4,7,7a-tetrahydro-4,4,7-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4,4,7-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.