2-(2-Sec-butoxybenzylidene)malononitrile
TL;DR: 2-(2-Sec-butoxybenzylidene)malononitrile (CAS 592540-44-8) is a chemical compound with molecular formula C14H14N2O and molecular weight 226.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-butan-2-yloxyphenyl)methylidene]propanedinitrile
Also Known As: 2-(2-sec-butoxybenzylidene)malononitrile, 2-(2-(sec-butoxy)benzylidene)malononitrile, [2-(butan-2-yloxy)benzylidene]propanedinitrile, 2-[(2-butan-2-yloxyphenyl)methylidene]propanedinitrile, AM-879/41908262
| Molecular Formula | C14H14N2O |
|---|---|
| Molecular Weight | 226.11 g/mol |
| LogP | 3.29446 |
| Topological Polar Surface Area | 56.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.11061 |
| Heavy Atoms | 17 |
| Complexity | 475.67905 |
Chemical Identifiers
| CAS Number | 592540-44-8 |
|---|---|
| SMILES | CCC(C)OC1=CC=CC=C1C=C(C#N)C#N |
Product Overview
2-(2-Sec-butoxybenzylidene)malononitrile (CAS 592540-44-8), with molecular formula C14H14N2O and molecular weight 226.11 g/mol. IUPAC: 2-[(2-butan-2-yloxyphenyl)methylidene]propanedinitrile.
Chemical Property Profile of 2-(2-Sec-butoxybenzylidene)malononitrile
Property Insights of 2-(2-Sec-butoxybenzylidene)malononitrile
The XLogP value of 3.29446 indicates that 2-(2-Sec-butoxybenzylidene)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.81 Ų, 2-(2-Sec-butoxybenzylidene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Sec-butoxybenzylidene)malononitrile 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 2-(2-Sec-butoxybenzylidene)malononitrile?
The CAS number of 2-(2-Sec-butoxybenzylidene)malononitrile is 592540-44-8.
What is the molecular formula of 2-(2-Sec-butoxybenzylidene)malononitrile?
The molecular formula of 2-(2-Sec-butoxybenzylidene)malononitrile is C14H14N2O.
What is the molecular weight of 2-(2-Sec-butoxybenzylidene)malononitrile?
The molecular weight of 2-(2-Sec-butoxybenzylidene)malononitrile is 226.11 g/mol.
Where can I buy 2-(2-Sec-butoxybenzylidene)malononitrile?
You can request a quote for 2-(2-Sec-butoxybenzylidene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Sec-butoxybenzylidene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Sec-butoxybenzylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.