4,5,6,7-Tetrahydro-3-methylbenzofuran
TL;DR: 4,5,6,7-Tetrahydro-3-methylbenzofuran (CAS 1919-00-2) is a chemical compound with molecular formula C9H12O and molecular weight 136.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4,5,6,7-tetrahydro-1-benzofuran
Also Known As: 4,5,6,7-Tetrahydro-3-methylbenzofuran, 3-methyl-4,5,6,7-tetrahydro-1-benzofuran, Benzofuran, 4,5,6,7-tetrahydro-3-methyl-, 3-methyl-4,5,6,7-tetrahydro-benzofuran, I14-21953
| Molecular Formula | C9H12O |
|---|---|
| Molecular Weight | 136.09 g/mol |
| LogP | 2.46682 |
| Topological Polar Surface Area | 13.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.08882 |
| Heavy Atoms | 10 |
| Complexity | 234.87634 |
Chemical Identifiers
| CAS Number | 1919-00-2 |
|---|---|
| SMILES | CC1=COC2=C1CCCC2 |
Product Overview
4,5,6,7-Tetrahydro-3-methylbenzofuran (CAS 1919-00-2), with molecular formula C9H12O and molecular weight 136.09 g/mol. IUPAC: 3-methyl-4,5,6,7-tetrahydro-1-benzofuran.
Chemical Property Profile of 4,5,6,7-Tetrahydro-3-methylbenzofuran
Property Insights of 4,5,6,7-Tetrahydro-3-methylbenzofuran
The XLogP value of 2.46682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5,6,7-Tetrahydro-3-methylbenzofuran. With a topological polar surface area (TPSA) of 13.14 Ų, 4,5,6,7-Tetrahydro-3-methylbenzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6,7-Tetrahydro-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 4,5,6,7-Tetrahydro-3-methylbenzofuran?
The CAS number of 4,5,6,7-Tetrahydro-3-methylbenzofuran is 1919-00-2.
What is the molecular formula of 4,5,6,7-Tetrahydro-3-methylbenzofuran?
The molecular formula of 4,5,6,7-Tetrahydro-3-methylbenzofuran is C9H12O.
What is the molecular weight of 4,5,6,7-Tetrahydro-3-methylbenzofuran?
The molecular weight of 4,5,6,7-Tetrahydro-3-methylbenzofuran is 136.09 g/mol.
Where can I buy 4,5,6,7-Tetrahydro-3-methylbenzofuran?
You can request a quote for 4,5,6,7-Tetrahydro-3-methylbenzofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6,7-Tetrahydro-3-methylbenzofuran?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7-Tetrahydro-3-methylbenzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.