1,3-Isobenzofurandione, tetrahydro-5-methyl-
TL;DR: 1,3-Isobenzofurandione, tetrahydro-5-methyl- (CAS 34090-76-1) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4,5,6,7-tetrahydro-2-benzofuran-1,3-dione
Also Known As: 4-Methyltetrahydrophthalic anhydride, Tetrahydro-4-methylphthalic anhydride, 4-methylhexahydrophthalic anhydride, 4,5,6,7-tetrahydro-5-methyl-1,3-Isobenzofurandione, 5-methyl-4,5,6,7-tetrahydro-2-benzofuran-1,3-dione
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 34090-76-1 |
|---|---|
| SMILES | CC1CCC2=C(C1)C(=O)OC2=O |
| InChIKey | XJMUIXMLTVKITM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Isobenzofurandione, tetrahydro-5-methyl- (CAS 34090-76-1), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: 5-methyl-4,5,6,7-tetrahydro-2-benzofuran-1,3-dione.
Chemical Property Profile of 1,3-Isobenzofurandione, tetrahydro-5-methyl-
Property Insights of 1,3-Isobenzofurandione, tetrahydro-5-methyl-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Isobenzofurandione, tetrahydro-5-methyl-. With a topological polar surface area (TPSA) of 43.4 Ų, 1,3-Isobenzofurandione, tetrahydro-5-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Isobenzofurandione, tetrahydro-5-methyl- 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, tetrahydro-5-methyl-?
The CAS number of 1,3-Isobenzofurandione, tetrahydro-5-methyl- is 34090-76-1.
What is the molecular formula of 1,3-Isobenzofurandione, tetrahydro-5-methyl-?
The molecular formula of 1,3-Isobenzofurandione, tetrahydro-5-methyl- is C9H10O3.
What is the molecular weight of 1,3-Isobenzofurandione, tetrahydro-5-methyl-?
The molecular weight of 1,3-Isobenzofurandione, tetrahydro-5-methyl- is 166.06 g/mol.
Where can I buy 1,3-Isobenzofurandione, tetrahydro-5-methyl-?
You can request a quote for 1,3-Isobenzofurandione, tetrahydro-5-methyl- 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, tetrahydro-5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Isobenzofurandione, tetrahydro-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.