7-Methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-2-benzofuran-4-carboxylic acid
TL;DR: 7-Methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-2-benzofuran-4-carboxylic acid (CAS 18625-95-1) is a chemical compound with molecular formula C10H10O5 and molecular weight 210.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-2-benzofuran-4-carboxylic acid
Also Known As: 6-methyl-cyclohex-4-ene-1,2,3-tricarboxylic acid-1,2-anhydride, 7-methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-2-benzofuran-4-carboxylic acid, 6-Methyl-4-cyclohexene-1,2,3-tricarboxylic 1,2-anhydride, 7-Methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-4-carboxylic acid, 7-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisobenzofuran-4-carboxylic acid
| Molecular Formula | C10H10O5 |
|---|---|
| Molecular Weight | 210.05 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.05283 |
| Heavy Atoms | 15 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 18625-95-1 |
|---|---|
| SMILES | CC1C=CC(C2C1C(=O)OC2=O)C(=O)O |
| InChIKey | ZLPGMJFNTMVCGG-UHFFFAOYSA-N |
Product Overview
7-Methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-2-benzofuran-4-carboxylic acid (CAS 18625-95-1), with molecular formula C10H10O5 and molecular weight 210.05 g/mol. IUPAC: 7-methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-2-benzofuran-4-carboxylic acid.
Chemical Property Profile of 7-Methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-2-benzofuran-4-carboxylic acid
Property Insights of 7-Methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-2-benzofuran-4-carboxylic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-2-benzofuran-4-carboxylic acid. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-2-benzofuran-4-carboxylic acid. Following Lipinski's Rule of Five, 7-Methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-2-benzofuran-4-carboxylic acid has 1 hydrogen bond donor(s) and 5 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 7-Methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-2-benzofuran-4-carboxylic acid?
The CAS number of 7-Methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-2-benzofuran-4-carboxylic acid is 18625-95-1.
What is the molecular formula of 7-Methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-2-benzofuran-4-carboxylic acid?
The molecular formula of 7-Methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-2-benzofuran-4-carboxylic acid is C10H10O5.
What is the molecular weight of 7-Methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-2-benzofuran-4-carboxylic acid?
The molecular weight of 7-Methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-2-benzofuran-4-carboxylic acid is 210.05 g/mol.
Where can I buy 7-Methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-2-benzofuran-4-carboxylic acid?
You can request a quote for 7-Methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-2-benzofuran-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-2-benzofuran-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-Methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-2-benzofuran-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.