3-(2-Methyl-3-Furyl)-3-Oxopropanenitrile
TL;DR: 3-(2-Methyl-3-Furyl)-3-Oxopropanenitrile (CAS 158386-97-1) is a chemical compound with molecular formula C8H7NO2 and molecular weight 149.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylfuran-3-yl)-3-oxopropanenitrile
Also Known As: 3-(2-Methyl-3-Furyl)-3-Oxopropanenitrile, 3-(2-methylfuran-3-yl)-3-oxopropanenitrile, 3'-Iod-4',7-dimethoxy-flavon, 3-Furanpropanenitrile, 2-methyl-beta-oxo-, 2-(2-methyl-3-furanoyl)acetonitrile
| Molecular Formula | C8H7NO2 |
|---|---|
| Molecular Weight | 149.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 149.04768 |
| Heavy Atoms | 11 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 158386-97-1 |
|---|---|
| SMILES | CC1=C(C=CO1)C(=O)CC#N |
| InChIKey | GHZZELMXQVEVPO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Methyl-3-Furyl)-3-Oxopropanenitrile (CAS 158386-97-1), with molecular formula C8H7NO2 and molecular weight 149.05 g/mol. IUPAC: 3-(2-methylfuran-3-yl)-3-oxopropanenitrile.
Chemical Property Profile of 3-(2-Methyl-3-Furyl)-3-Oxopropanenitrile
Property Insights of 3-(2-Methyl-3-Furyl)-3-Oxopropanenitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Methyl-3-Furyl)-3-Oxopropanenitrile. With a topological polar surface area (TPSA) of 54.0 Ų, 3-(2-Methyl-3-Furyl)-3-Oxopropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Methyl-3-Furyl)-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-(2-Methyl-3-Furyl)-3-Oxopropanenitrile?
The CAS number of 3-(2-Methyl-3-Furyl)-3-Oxopropanenitrile is 158386-97-1.
What is the molecular formula of 3-(2-Methyl-3-Furyl)-3-Oxopropanenitrile?
The molecular formula of 3-(2-Methyl-3-Furyl)-3-Oxopropanenitrile is C8H7NO2.
What is the molecular weight of 3-(2-Methyl-3-Furyl)-3-Oxopropanenitrile?
The molecular weight of 3-(2-Methyl-3-Furyl)-3-Oxopropanenitrile is 149.05 g/mol.
Where can I buy 3-(2-Methyl-3-Furyl)-3-Oxopropanenitrile?
You can request a quote for 3-(2-Methyl-3-Furyl)-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-(2-Methyl-3-Furyl)-3-Oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Methyl-3-Furyl)-3-Oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.