Furan, 3-(1,1-dimethylethyl-
TL;DR: Furan, 3-(1,1-dimethylethyl- (CAS 7040-42-8) is a chemical compound with molecular formula C8H12O and molecular weight 124.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butylfuran
Also Known As: 3-tert-butylfuran, 3-t-butylfuran, Furan, 3-(1,1-dimethylethyl-, Furan, 3-tert-butyl-, furan, 3-(1,1-dimethylethyl)-
| Molecular Formula | C8H12O |
|---|---|
| Molecular Weight | 124.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 13.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 124.08881 |
| Heavy Atoms | 9 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 7040-42-8 |
|---|---|
| SMILES | CC(C)(C)C1=COC=C1 |
| InChIKey | RTYRAGNYEHJQPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Furan, 3-(1,1-dimethylethyl- (CAS 7040-42-8), with molecular formula C8H12O and molecular weight 124.09 g/mol. IUPAC: 3-tert-butylfuran.
Chemical Property Profile of Furan, 3-(1,1-dimethylethyl-
Property Insights of Furan, 3-(1,1-dimethylethyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Furan, 3-(1,1-dimethylethyl-. With a topological polar surface area (TPSA) of 13.1 Ų, Furan, 3-(1,1-dimethylethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Furan, 3-(1,1-dimethylethyl- 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 Furan, 3-(1,1-dimethylethyl-?
The CAS number of Furan, 3-(1,1-dimethylethyl- is 7040-42-8.
What is the molecular formula of Furan, 3-(1,1-dimethylethyl-?
The molecular formula of Furan, 3-(1,1-dimethylethyl- is C8H12O.
What is the molecular weight of Furan, 3-(1,1-dimethylethyl-?
The molecular weight of Furan, 3-(1,1-dimethylethyl- is 124.09 g/mol.
Where can I buy Furan, 3-(1,1-dimethylethyl-?
You can request a quote for Furan, 3-(1,1-dimethylethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Furan, 3-(1,1-dimethylethyl-?
Yes, KEHONG BIO provides custom synthesis services for Furan, 3-(1,1-dimethylethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.