2-Methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid
TL;DR: 2-Methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid (CAS 1032047-47-4) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06299 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid
Also Known As: 2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid, 2-Methyl-2,3-dihydro-benzofuran-5-carboxylic acid, 5-carboxy-2-methylcoumaran, 2-Methyl-2,3-dihydrobenzofuran-5-carboxylic acid, TIMTEC-BB SBB010622
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H10O3 |
| Molecular Weight | 178.06299 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.06299 Da |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
| SMILES | CC1CC2=C(O1)C=CC(=C2)C(=O)O |
| InChIKey | NXNQXQFRCVUXIN-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid
Property Insights of 2-Methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 2-Methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid?
The CAS number of 2-Methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid is 1032047-47-4.
What is the molecular formula of 2-Methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid?
The molecular formula of 2-Methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid is C10H10O3.
What is the molecular weight of 2-Methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid?
The molecular weight of 2-Methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid is 178.06299 g/mol.
Where can I buy 2-Methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid?
You can request a quote for 2-Methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 2-Methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.