(E)-2-(5,5-dimethyl-3-(4-nitrostyryl)cyclohex-2-en-1-ylidene)malononitrile
TL;DR: (E)-2-(5,5-dimethyl-3-(4-nitrostyryl)cyclohex-2-en-1-ylidene)malononitrile (CAS 1141947-56-9) is a chemical compound with molecular formula C19H17N3O2 and molecular weight 319.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5,5-dimethyl-3-[(E)-2-(4-nitrophenyl)ethenyl]cyclohex-2-en-1-ylidene]propanedinitrile
Also Known As: (E)-2-(5,5-dimethyl-3-(4-nitrostyryl)cyclohex-2-en-1-ylidene)malononitrile, (e)-2-(5,5-dimethyl-3-(4-nitrostyryl)cyclohex-2-enylidene) malononitrile, 2-[5,5-dimethyl-3-[(E)-2-(4-nitrophenyl)ethenyl]cyclohex-2-en-1-ylidene]propanedinitrile
| Molecular Formula | C19H17N3O2 |
|---|---|
| Molecular Weight | 319.13 g/mol |
| LogP | 4.69816 |
| Topological Polar Surface Area | 90.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.13208 |
| Heavy Atoms | 24 |
| Complexity | 812.84827 |
Chemical Identifiers
| CAS Number | 1141947-56-9 |
|---|---|
| SMILES | CC1(CC(=CC(=C(C#N)C#N)C1)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C |
Product Overview
(E)-2-(5,5-dimethyl-3-(4-nitrostyryl)cyclohex-2-en-1-ylidene)malononitrile (CAS 1141947-56-9), with molecular formula C19H17N3O2 and molecular weight 319.13 g/mol. IUPAC: 2-[5,5-dimethyl-3-[(E)-2-(4-nitrophenyl)ethenyl]cyclohex-2-en-1-ylidene]propanedinitrile.
Chemical Property Profile of (E)-2-(5,5-dimethyl-3-(4-nitrostyryl)cyclohex-2-en-1-ylidene)malononitrile
Property Insights of (E)-2-(5,5-dimethyl-3-(4-nitrostyryl)cyclohex-2-en-1-ylidene)malononitrile
The XLogP value of 4.69816 indicates that (E)-2-(5,5-dimethyl-3-(4-nitrostyryl)cyclohex-2-en-1-ylidene)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.72 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(5,5-dimethyl-3-(4-nitrostyryl)cyclohex-2-en-1-ylidene)malononitrile. Following Lipinski's Rule of Five, (E)-2-(5,5-dimethyl-3-(4-nitrostyryl)cyclohex-2-en-1-ylidene)malononitrile has 0 hydrogen bond donor(s) and 4 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 (E)-2-(5,5-dimethyl-3-(4-nitrostyryl)cyclohex-2-en-1-ylidene)malononitrile?
The CAS number of (E)-2-(5,5-dimethyl-3-(4-nitrostyryl)cyclohex-2-en-1-ylidene)malononitrile is 1141947-56-9.
What is the molecular formula of (E)-2-(5,5-dimethyl-3-(4-nitrostyryl)cyclohex-2-en-1-ylidene)malononitrile?
The molecular formula of (E)-2-(5,5-dimethyl-3-(4-nitrostyryl)cyclohex-2-en-1-ylidene)malononitrile is C19H17N3O2.
What is the molecular weight of (E)-2-(5,5-dimethyl-3-(4-nitrostyryl)cyclohex-2-en-1-ylidene)malononitrile?
The molecular weight of (E)-2-(5,5-dimethyl-3-(4-nitrostyryl)cyclohex-2-en-1-ylidene)malononitrile is 319.13 g/mol.
Where can I buy (E)-2-(5,5-dimethyl-3-(4-nitrostyryl)cyclohex-2-en-1-ylidene)malononitrile?
You can request a quote for (E)-2-(5,5-dimethyl-3-(4-nitrostyryl)cyclohex-2-en-1-ylidene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(5,5-dimethyl-3-(4-nitrostyryl)cyclohex-2-en-1-ylidene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(5,5-dimethyl-3-(4-nitrostyryl)cyclohex-2-en-1-ylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.