3-(5-Tert-butyl-2-methylfuran-3-yl)-3-oxopropanenitrile
TL;DR: 3-(5-Tert-butyl-2-methylfuran-3-yl)-3-oxopropanenitrile (CAS 175276-65-0) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-tert-butyl-2-methylfuran-3-yl)-3-oxopropanenitrile
Also Known As: 3,5-Dimethylbenzhydrol, Maybridge1_008279, 3-(5-tert-butyl-2-methylfuran-3-yl)-3-oxopropanenitrile, 3-[5-(tert-butyl)-2-methyl-3-furyl]-3-oxopropanenitrile, 3-(5-(tert-Butyl)-2-methylfuran-3-yl)-3-oxopropanenitrile
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 2.9819 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 415.811 |
Chemical Identifiers
| CAS Number | 175276-65-0 |
|---|---|
| SMILES | CC1=C(C=C(O1)C(C)(C)C)C(=O)CC#N |
Product Overview
3-(5-Tert-butyl-2-methylfuran-3-yl)-3-oxopropanenitrile (CAS 175276-65-0), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: 3-(5-tert-butyl-2-methylfuran-3-yl)-3-oxopropanenitrile.
Chemical Property Profile of 3-(5-Tert-butyl-2-methylfuran-3-yl)-3-oxopropanenitrile
Property Insights of 3-(5-Tert-butyl-2-methylfuran-3-yl)-3-oxopropanenitrile
The XLogP value of 2.9819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-Tert-butyl-2-methylfuran-3-yl)-3-oxopropanenitrile. With a topological polar surface area (TPSA) of 54.0 Ų, 3-(5-Tert-butyl-2-methylfuran-3-yl)-3-oxopropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5-Tert-butyl-2-methylfuran-3-yl)-3-oxopropanenitrile has 0 hydrogen bond donor(s) and 3 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-(5-Tert-butyl-2-methylfuran-3-yl)-3-oxopropanenitrile?
The CAS number of 3-(5-Tert-butyl-2-methylfuran-3-yl)-3-oxopropanenitrile is 175276-65-0.
What is the molecular formula of 3-(5-Tert-butyl-2-methylfuran-3-yl)-3-oxopropanenitrile?
The molecular formula of 3-(5-Tert-butyl-2-methylfuran-3-yl)-3-oxopropanenitrile is C12H15NO2.
What is the molecular weight of 3-(5-Tert-butyl-2-methylfuran-3-yl)-3-oxopropanenitrile?
The molecular weight of 3-(5-Tert-butyl-2-methylfuran-3-yl)-3-oxopropanenitrile is 205.11 g/mol.
Where can I buy 3-(5-Tert-butyl-2-methylfuran-3-yl)-3-oxopropanenitrile?
You can request a quote for 3-(5-Tert-butyl-2-methylfuran-3-yl)-3-oxopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-Tert-butyl-2-methylfuran-3-yl)-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Tert-butyl-2-methylfuran-3-yl)-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.