2,3,5-Trimethyl-1-benzofuran
TL;DR: 2,3,5-Trimethyl-1-benzofuran (CAS 21417-73-2) is a chemical compound with molecular formula C11H12O and molecular weight 160.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5-trimethyl-1-benzofuran
Also Known As: 2,3,5-trimethyl-1-benzofuran, 2,3,5-trimethylbenzofuran, 2,3,5-Trimethyl-benzofuran, Benzofuran, 2,3,5-trimethyl-
| Molecular Formula | C11H12O |
|---|---|
| Molecular Weight | 160.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 13.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.08882 |
| Heavy Atoms | 12 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 21417-73-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=C2C)C |
| InChIKey | ZYKGZCXVJHBECP-UHFFFAOYSA-N |
Product Overview
2,3,5-Trimethyl-1-benzofuran (CAS 21417-73-2), with molecular formula C11H12O and molecular weight 160.09 g/mol. IUPAC: 2,3,5-trimethyl-1-benzofuran.
Chemical Property Profile of 2,3,5-Trimethyl-1-benzofuran
Property Insights of 2,3,5-Trimethyl-1-benzofuran
The XLogP value of 3.5 indicates that 2,3,5-Trimethyl-1-benzofuran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.1 Ų, 2,3,5-Trimethyl-1-benzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,5-Trimethyl-1-benzofuran has 0 hydrogen bond donor(s) and 1 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 2,3,5-Trimethyl-1-benzofuran?
The CAS number of 2,3,5-Trimethyl-1-benzofuran is 21417-73-2.
What is the molecular formula of 2,3,5-Trimethyl-1-benzofuran?
The molecular formula of 2,3,5-Trimethyl-1-benzofuran is C11H12O.
What is the molecular weight of 2,3,5-Trimethyl-1-benzofuran?
The molecular weight of 2,3,5-Trimethyl-1-benzofuran is 160.09 g/mol.
Where can I buy 2,3,5-Trimethyl-1-benzofuran?
You can request a quote for 2,3,5-Trimethyl-1-benzofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,5-Trimethyl-1-benzofuran?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5-Trimethyl-1-benzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.