(4,6,7-Trimethyl-1-benzofuran-3-YL)acetic acid
TL;DR: (4,6,7-Trimethyl-1-benzofuran-3-YL)acetic acid (CAS 902139-76-8) is a chemical compound with molecular formula C13H14O3 and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetic acid
Also Known As: (4,6,7-TRIMETHYL-1-BENZOFURAN-3-YL)ACETIC ACID, 2-(4,6,7-trimethylbenzofuran-3-yl)acetic Acid, CHEMBRDG-BB7122570, 2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetic acid, CHEMBRDG-BB 7122570
| Molecular Formula | C13H14O3 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 2.98516 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.0943 |
| Heavy Atoms | 16 |
| Complexity | 564.05164 |
Chemical Identifiers
| CAS Number | 902139-76-8 |
|---|---|
| SMILES | CC1=CC(=C2C(=COC2=C1C)CC(=O)O)C |
Product Overview
(4,6,7-Trimethyl-1-benzofuran-3-YL)acetic acid (CAS 902139-76-8), with molecular formula C13H14O3 and molecular weight 218.09 g/mol. IUPAC: 2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetic acid.
Chemical Property Profile of (4,6,7-Trimethyl-1-benzofuran-3-YL)acetic acid
Property Insights of (4,6,7-Trimethyl-1-benzofuran-3-YL)acetic acid
The XLogP value of 2.98516 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4,6,7-Trimethyl-1-benzofuran-3-YL)acetic acid. With a topological polar surface area (TPSA) of 50.44 Ų, (4,6,7-Trimethyl-1-benzofuran-3-YL)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4,6,7-Trimethyl-1-benzofuran-3-YL)acetic 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 (4,6,7-Trimethyl-1-benzofuran-3-YL)acetic acid?
The CAS number of (4,6,7-Trimethyl-1-benzofuran-3-YL)acetic acid is 902139-76-8.
What is the molecular formula of (4,6,7-Trimethyl-1-benzofuran-3-YL)acetic acid?
The molecular formula of (4,6,7-Trimethyl-1-benzofuran-3-YL)acetic acid is C13H14O3.
What is the molecular weight of (4,6,7-Trimethyl-1-benzofuran-3-YL)acetic acid?
The molecular weight of (4,6,7-Trimethyl-1-benzofuran-3-YL)acetic acid is 218.09 g/mol.
Where can I buy (4,6,7-Trimethyl-1-benzofuran-3-YL)acetic acid?
You can request a quote for (4,6,7-Trimethyl-1-benzofuran-3-YL)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4,6,7-Trimethyl-1-benzofuran-3-YL)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (4,6,7-Trimethyl-1-benzofuran-3-YL)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.