2,3-Dihydro-3,3-dimethyl-7-benzofurancarboxylic acid
TL;DR: 2,3-Dihydro-3,3-dimethyl-7-benzofurancarboxylic acid (CAS 133609-87-7) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-2H-1-benzofuran-7-carboxylic acid
Also Known As: 3,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid, 3,3-dimethyl-2H-1-benzofuran-7-carboxylic acid, 3,3-dimethyl-2H-benzofuran-7-carboxylic Acid, 2,3-Dihydro-3,3-dimethyl-7-benzofurancarboxylic acid, AP-836/41220390
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 2.0548 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 393.51917 |
Chemical Identifiers
| CAS Number | 133609-87-7 |
|---|---|
| SMILES | CC1(COC2=C(C=CC=C21)C(=O)O)C |
Product Overview
2,3-Dihydro-3,3-dimethyl-7-benzofurancarboxylic acid (CAS 133609-87-7), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 3,3-dimethyl-2H-1-benzofuran-7-carboxylic acid.
Chemical Property Profile of 2,3-Dihydro-3,3-dimethyl-7-benzofurancarboxylic acid
Property Insights of 2,3-Dihydro-3,3-dimethyl-7-benzofurancarboxylic acid
The XLogP value of 2.0548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydro-3,3-dimethyl-7-benzofurancarboxylic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 2,3-Dihydro-3,3-dimethyl-7-benzofurancarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dihydro-3,3-dimethyl-7-benzofurancarboxylic acid has 1 hydrogen bond donor(s) and 2 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 2,3-Dihydro-3,3-dimethyl-7-benzofurancarboxylic acid?
The CAS number of 2,3-Dihydro-3,3-dimethyl-7-benzofurancarboxylic acid is 133609-87-7.
What is the molecular formula of 2,3-Dihydro-3,3-dimethyl-7-benzofurancarboxylic acid?
The molecular formula of 2,3-Dihydro-3,3-dimethyl-7-benzofurancarboxylic acid is C11H12O3.
What is the molecular weight of 2,3-Dihydro-3,3-dimethyl-7-benzofurancarboxylic acid?
The molecular weight of 2,3-Dihydro-3,3-dimethyl-7-benzofurancarboxylic acid is 192.08 g/mol.
Where can I buy 2,3-Dihydro-3,3-dimethyl-7-benzofurancarboxylic acid?
You can request a quote for 2,3-Dihydro-3,3-dimethyl-7-benzofurancarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydro-3,3-dimethyl-7-benzofurancarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydro-3,3-dimethyl-7-benzofurancarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.