3,4,7-Trimethylbenzofuran
TL;DR: 3,4,7-Trimethylbenzofuran (CAS 53715-86-9) 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.
3,4,7-trimethyl-1-benzofuran
Also Known As: 3,4,7-trimethylbenzofuran, Benzofuran, 3,4,7-trimethyl-, Benzofuran,3,4,7-trimethyl-, 3,4,7-trimethyl-1-benzofuran, InChI=1/C11H12O/c1-7-4-5-8(2)11-10(7)9(3)6-12-11/h4-6H,1-3H
| Molecular Formula | C11H12O |
|---|---|
| Molecular Weight | 160.09 g/mol |
| LogP | 3.35806 |
| Topological Polar Surface Area | 13.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.08882 |
| Heavy Atoms | 12 |
| Complexity | 423.74188 |
Chemical Identifiers
| CAS Number | 53715-86-9 |
|---|---|
| SMILES | CC1=C2C(=COC2=C(C=C1)C)C |
Product Overview
3,4,7-Trimethylbenzofuran (CAS 53715-86-9), with molecular formula C11H12O and molecular weight 160.09 g/mol. IUPAC: 3,4,7-trimethyl-1-benzofuran.
Chemical Property Profile of 3,4,7-Trimethylbenzofuran
Property Insights of 3,4,7-Trimethylbenzofuran
The XLogP value of 3.35806 indicates that 3,4,7-Trimethylbenzofuran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.14 Ų, 3,4,7-Trimethylbenzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,7-Trimethylbenzofuran 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 3,4,7-Trimethylbenzofuran?
The CAS number of 3,4,7-Trimethylbenzofuran is 53715-86-9.
What is the molecular formula of 3,4,7-Trimethylbenzofuran?
The molecular formula of 3,4,7-Trimethylbenzofuran is C11H12O.
What is the molecular weight of 3,4,7-Trimethylbenzofuran?
The molecular weight of 3,4,7-Trimethylbenzofuran is 160.09 g/mol.
Where can I buy 3,4,7-Trimethylbenzofuran?
You can request a quote for 3,4,7-Trimethylbenzofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,7-Trimethylbenzofuran?
Yes, KEHONG BIO provides custom synthesis services for 3,4,7-Trimethylbenzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.