3-Tert-butyl-2-methyl-1-benzofuran
TL;DR: 3-Tert-butyl-2-methyl-1-benzofuran (CAS 159588-08-6) is a chemical compound with molecular formula C13H16O and molecular weight 188.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-2-methyl-1-benzofuran
Also Known As: 3-tert-butyl-2-methylbenzofuran, 2-Methyl-3-tert-butylbenzofuran, 3-tert-butyl-2-methyl-1-benzofuran, 2-methyl-3-tert-butyl-benzofuran, J1.592.018A
| Molecular Formula | C13H16O |
|---|---|
| Molecular Weight | 188.12 g/mol |
| LogP | 4.03872 |
| Topological Polar Surface Area | 13.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.12012 |
| Heavy Atoms | 14 |
| Complexity | 457.53058 |
Chemical Identifiers
| CAS Number | 159588-08-6 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2O1)C(C)(C)C |
Product Overview
3-Tert-butyl-2-methyl-1-benzofuran (CAS 159588-08-6), with molecular formula C13H16O and molecular weight 188.12 g/mol. IUPAC: 3-tert-butyl-2-methyl-1-benzofuran.
Chemical Property Profile of 3-Tert-butyl-2-methyl-1-benzofuran
Property Insights of 3-Tert-butyl-2-methyl-1-benzofuran
The XLogP value of 4.03872 indicates that 3-Tert-butyl-2-methyl-1-benzofuran 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-Tert-butyl-2-methyl-1-benzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Tert-butyl-2-methyl-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 3-Tert-butyl-2-methyl-1-benzofuran?
The CAS number of 3-Tert-butyl-2-methyl-1-benzofuran is 159588-08-6.
What is the molecular formula of 3-Tert-butyl-2-methyl-1-benzofuran?
The molecular formula of 3-Tert-butyl-2-methyl-1-benzofuran is C13H16O.
What is the molecular weight of 3-Tert-butyl-2-methyl-1-benzofuran?
The molecular weight of 3-Tert-butyl-2-methyl-1-benzofuran is 188.12 g/mol.
Where can I buy 3-Tert-butyl-2-methyl-1-benzofuran?
You can request a quote for 3-Tert-butyl-2-methyl-1-benzofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Tert-butyl-2-methyl-1-benzofuran?
Yes, KEHONG BIO provides custom synthesis services for 3-Tert-butyl-2-methyl-1-benzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.