1,3-Isobenzofurandione, 4,5,6,7-tetrahydro-4,7-dimethyl-
TL;DR: 1,3-Isobenzofurandione, 4,5,6,7-tetrahydro-4,7-dimethyl- (CAS 54576-43-1) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-dimethyl-4,5,6,7-tetrahydro-2-benzofuran-1,3-dione
Also Known As: 3,6-Dimethyl-1-cyclohexene-1,2-dicarboxylicanhydride, 4,7-Dimethyl-4,5,6,7-tetrahydro-2-benzofuran-1,3-dione, 3,6-Dimethyl-1-cyclohexene-1,2-dicarboxylic anhydride, 1,3-Isobenzofurandione, 4,5,6,7-tetrahydro-4,7-dimethyl-, 4,7-dimethyl-1,3,4,5,6,7-hexahydro-2-benzofuran-1,3-dione
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 54576-43-1 |
|---|---|
| SMILES | CC1CCC(C2=C1C(=O)OC2=O)C |
| InChIKey | TULCGGOTLRFFGN-UHFFFAOYSA-N |
Product Overview
1,3-Isobenzofurandione, 4,5,6,7-tetrahydro-4,7-dimethyl- (CAS 54576-43-1), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: 4,7-dimethyl-4,5,6,7-tetrahydro-2-benzofuran-1,3-dione.
Chemical Property Profile of 1,3-Isobenzofurandione, 4,5,6,7-tetrahydro-4,7-dimethyl-
Property Insights of 1,3-Isobenzofurandione, 4,5,6,7-tetrahydro-4,7-dimethyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Isobenzofurandione, 4,5,6,7-tetrahydro-4,7-dimethyl-. With a topological polar surface area (TPSA) of 43.4 Ų, 1,3-Isobenzofurandione, 4,5,6,7-tetrahydro-4,7-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Isobenzofurandione, 4,5,6,7-tetrahydro-4,7-dimethyl- 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, 4,5,6,7-tetrahydro-4,7-dimethyl-?
The CAS number of 1,3-Isobenzofurandione, 4,5,6,7-tetrahydro-4,7-dimethyl- is 54576-43-1.
What is the molecular formula of 1,3-Isobenzofurandione, 4,5,6,7-tetrahydro-4,7-dimethyl-?
The molecular formula of 1,3-Isobenzofurandione, 4,5,6,7-tetrahydro-4,7-dimethyl- is C10H12O3.
What is the molecular weight of 1,3-Isobenzofurandione, 4,5,6,7-tetrahydro-4,7-dimethyl-?
The molecular weight of 1,3-Isobenzofurandione, 4,5,6,7-tetrahydro-4,7-dimethyl- is 180.08 g/mol.
Where can I buy 1,3-Isobenzofurandione, 4,5,6,7-tetrahydro-4,7-dimethyl-?
You can request a quote for 1,3-Isobenzofurandione, 4,5,6,7-tetrahydro-4,7-dimethyl- 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, 4,5,6,7-tetrahydro-4,7-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Isobenzofurandione, 4,5,6,7-tetrahydro-4,7-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.