3,6,7-Trimethyl-benzofuran-2-carboxylic acid
TL;DR: 3,6,7-Trimethyl-benzofuran-2-carboxylic acid (CAS 247109-17-7) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6,7-trimethyl-1-benzofuran-2-carboxylic acid
Also Known As: 3,6,7-Trimethyl-benzofuran-2-carboxylic acid, 3,6,7-trimethyl-1-benzofuran-2-carboxylic acid, 3,6,7-Trimethylbenzofuran-2-carboxylic acid, 1401AF, BAS 12709892
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 3.05626 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 549.48285 |
Chemical Identifiers
| CAS Number | 247109-17-7 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)C(=C(O2)C(=O)O)C)C |
Product Overview
3,6,7-Trimethyl-benzofuran-2-carboxylic acid (CAS 247109-17-7), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: 3,6,7-trimethyl-1-benzofuran-2-carboxylic acid.
Chemical Property Profile of 3,6,7-Trimethyl-benzofuran-2-carboxylic acid
Property Insights of 3,6,7-Trimethyl-benzofuran-2-carboxylic acid
The XLogP value of 3.05626 indicates that 3,6,7-Trimethyl-benzofuran-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.44 Ų, 3,6,7-Trimethyl-benzofuran-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6,7-Trimethyl-benzofuran-2-carboxylic 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 3,6,7-Trimethyl-benzofuran-2-carboxylic acid?
The CAS number of 3,6,7-Trimethyl-benzofuran-2-carboxylic acid is 247109-17-7.
What is the molecular formula of 3,6,7-Trimethyl-benzofuran-2-carboxylic acid?
The molecular formula of 3,6,7-Trimethyl-benzofuran-2-carboxylic acid is C12H12O3.
What is the molecular weight of 3,6,7-Trimethyl-benzofuran-2-carboxylic acid?
The molecular weight of 3,6,7-Trimethyl-benzofuran-2-carboxylic acid is 204.08 g/mol.
Where can I buy 3,6,7-Trimethyl-benzofuran-2-carboxylic acid?
You can request a quote for 3,6,7-Trimethyl-benzofuran-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6,7-Trimethyl-benzofuran-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,6,7-Trimethyl-benzofuran-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.