2-(1-Isobutyl-3-methylbutylidene)malononitrile
TL;DR: 2-(1-Isobutyl-3-methylbutylidene)malononitrile (CAS 13017-58-8) is a chemical compound with molecular formula C12H18N2 and molecular weight 190.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,6-dimethylheptan-4-ylidene)propanedinitrile
Also Known As: 2-(2,6-dimethylheptan-4-ylidene)propanedinitrile, 2-(1-isobutyl-3-methylbutylidene)malononitrile, 2-(1-isobutyl-3-methyl-butylidene)-malononitrile
| Molecular Formula | C12H18N2 |
|---|---|
| Molecular Weight | 190.15 g/mol |
| LogP | 3.42236 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.147 |
| Heavy Atoms | 14 |
| Complexity | 256.42404 |
Chemical Identifiers
| CAS Number | 13017-58-8 |
|---|---|
| SMILES | CC(C)CC(=C(C#N)C#N)CC(C)C |
Product Overview
2-(1-Isobutyl-3-methylbutylidene)malononitrile (CAS 13017-58-8), with molecular formula C12H18N2 and molecular weight 190.15 g/mol. IUPAC: 2-(2,6-dimethylheptan-4-ylidene)propanedinitrile.
Chemical Property Profile of 2-(1-Isobutyl-3-methylbutylidene)malononitrile
Property Insights of 2-(1-Isobutyl-3-methylbutylidene)malononitrile
The XLogP value of 3.42236 indicates that 2-(1-Isobutyl-3-methylbutylidene)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.58 Ų, 2-(1-Isobutyl-3-methylbutylidene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Isobutyl-3-methylbutylidene)malononitrile has 0 hydrogen bond donor(s) and 2 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 2-(1-Isobutyl-3-methylbutylidene)malononitrile?
The CAS number of 2-(1-Isobutyl-3-methylbutylidene)malononitrile is 13017-58-8.
What is the molecular formula of 2-(1-Isobutyl-3-methylbutylidene)malononitrile?
The molecular formula of 2-(1-Isobutyl-3-methylbutylidene)malononitrile is C12H18N2.
What is the molecular weight of 2-(1-Isobutyl-3-methylbutylidene)malononitrile?
The molecular weight of 2-(1-Isobutyl-3-methylbutylidene)malononitrile is 190.15 g/mol.
Where can I buy 2-(1-Isobutyl-3-methylbutylidene)malononitrile?
You can request a quote for 2-(1-Isobutyl-3-methylbutylidene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Isobutyl-3-methylbutylidene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Isobutyl-3-methylbutylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.