(4,6-Dimethyl-1-benzofuran-3-yl)acetic acid
TL;DR: (4,6-Dimethyl-1-benzofuran-3-yl)acetic acid (CAS 539807-37-9) 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.
2-(4,6-dimethyl-1-benzofuran-3-yl)acetic acid
Also Known As: (4,6-dimethyl-1-benzofuran-3-yl)acetic acid, aceticacid, 2-(4,6-dimethylbenzofuran-3-yl)acetic acid, 2-(4,6-dimethyl-1-benzofuran-3-yl)acetic acid, IFLAB-BB F1244-0041
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 539807-37-9 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)OC=C2CC(=O)O)C |
| InChIKey | AQIAZHNIQWVFEH-UHFFFAOYSA-N |
Product Overview
(4,6-Dimethyl-1-benzofuran-3-yl)acetic acid (CAS 539807-37-9), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: 2-(4,6-dimethyl-1-benzofuran-3-yl)acetic acid.
Chemical Property Profile of (4,6-Dimethyl-1-benzofuran-3-yl)acetic acid
Property Insights of (4,6-Dimethyl-1-benzofuran-3-yl)acetic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4,6-Dimethyl-1-benzofuran-3-yl)acetic acid. With a topological polar surface area (TPSA) of 50.4 Ų, (4,6-Dimethyl-1-benzofuran-3-yl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4,6-Dimethyl-1-benzofuran-3-yl)acetic 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
Frequently Asked Questions
What is the CAS number of (4,6-Dimethyl-1-benzofuran-3-yl)acetic acid?
The CAS number of (4,6-Dimethyl-1-benzofuran-3-yl)acetic acid is 539807-37-9.
What is the molecular formula of (4,6-Dimethyl-1-benzofuran-3-yl)acetic acid?
The molecular formula of (4,6-Dimethyl-1-benzofuran-3-yl)acetic acid is C12H12O3.
What is the molecular weight of (4,6-Dimethyl-1-benzofuran-3-yl)acetic acid?
The molecular weight of (4,6-Dimethyl-1-benzofuran-3-yl)acetic acid is 204.08 g/mol.
Where can I buy (4,6-Dimethyl-1-benzofuran-3-yl)acetic acid?
You can request a quote for (4,6-Dimethyl-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-Dimethyl-1-benzofuran-3-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (4,6-Dimethyl-1-benzofuran-3-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.