Malononitrile, (1-methyl-3-oxobutylidene)-
TL;DR: Malononitrile, (1-methyl-3-oxobutylidene)- (CAS 3695-96-3) is a chemical compound with molecular formula C8H8N2O and molecular weight 148.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-oxopentan-2-ylidene)propanedinitrile
Also Known As: (1-Methyl-3-oxobutylidene)malononitrile, MALONONITRILE, (1-METHYL-3-OXOBUTYLIDENE)-, 2-(4-oxopentan-2-ylidene)propanedinitrile, (4-oxopentan-2-ylidene)propanedinitrile, 1-Acetyl-2-methyl-3,3-dicyano-propylen-(2,3)
| Molecular Formula | C8H8N2O |
|---|---|
| Molecular Weight | 148.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 64.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 148.06366 |
| Heavy Atoms | 11 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 3695-96-3 |
|---|---|
| SMILES | CC(=C(C#N)C#N)CC(=O)C |
| InChIKey | NPTORMGZZWFBOF-UHFFFAOYSA-N |
Product Overview
Malononitrile, (1-methyl-3-oxobutylidene)- (CAS 3695-96-3), with molecular formula C8H8N2O and molecular weight 148.06 g/mol. IUPAC: 2-(4-oxopentan-2-ylidene)propanedinitrile.
Chemical Property Profile of Malononitrile, (1-methyl-3-oxobutylidene)-
Property Insights of Malononitrile, (1-methyl-3-oxobutylidene)-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Malononitrile, (1-methyl-3-oxobutylidene)-. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Malononitrile, (1-methyl-3-oxobutylidene)-. Following Lipinski's Rule of Five, Malononitrile, (1-methyl-3-oxobutylidene)- 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 Malononitrile, (1-methyl-3-oxobutylidene)-?
The CAS number of Malononitrile, (1-methyl-3-oxobutylidene)- is 3695-96-3.
What is the molecular formula of Malononitrile, (1-methyl-3-oxobutylidene)-?
The molecular formula of Malononitrile, (1-methyl-3-oxobutylidene)- is C8H8N2O.
What is the molecular weight of Malononitrile, (1-methyl-3-oxobutylidene)-?
The molecular weight of Malononitrile, (1-methyl-3-oxobutylidene)- is 148.06 g/mol.
Where can I buy Malononitrile, (1-methyl-3-oxobutylidene)-?
You can request a quote for Malononitrile, (1-methyl-3-oxobutylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malononitrile, (1-methyl-3-oxobutylidene)-?
Yes, KEHONG BIO provides custom synthesis services for Malononitrile, (1-methyl-3-oxobutylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.