3-Methylbenzofuran
TL;DR: 3-Methylbenzofuran (CAS 21535-97-7) is a chemical compound with molecular formula C9H8O and molecular weight 132.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-benzofuran
Also Known As: 3-Methylbenzofuran, 3-Methyl-1-benzofuran, 3-Methyl-benzofuran, Bolvidon, Benzofuran, 3-methyl-
| Molecular Formula | C9H8O |
|---|---|
| Molecular Weight | 132.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 13.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 132.05751 |
| Heavy Atoms | 10 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 21535-97-7 |
|---|---|
| SMILES | CC1=COC2=CC=CC=C12 |
| InChIKey | ZRXHLJNBNWVNIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylbenzofuran (CAS 21535-97-7), with molecular formula C9H8O and molecular weight 132.06 g/mol. IUPAC: 3-methyl-1-benzofuran.
Chemical Property Profile of 3-Methylbenzofuran
Property Insights of 3-Methylbenzofuran
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylbenzofuran. With a topological polar surface area (TPSA) of 13.1 Ų, 3-Methylbenzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbenzofuran 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-Methylbenzofuran?
The CAS number of 3-Methylbenzofuran is 21535-97-7.
What is the molecular formula of 3-Methylbenzofuran?
The molecular formula of 3-Methylbenzofuran is C9H8O.
What is the molecular weight of 3-Methylbenzofuran?
The molecular weight of 3-Methylbenzofuran is 132.06 g/mol.
Where can I buy 3-Methylbenzofuran?
You can request a quote for 3-Methylbenzofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbenzofuran?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbenzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.