![2-Amino-4-[4-(dimethylamino)phenyl]buta-1,3-di-ene-1,1,3-tricarbonitrile structure](/static/products/1009/100991-84-2.webp)
2-Amino-4-[4-(dimethylamino)phenyl]buta-1,3-di-ene-1,1,3-tricarbonitrile
TL;DR: 2-Amino-4-[4-(dimethylamino)phenyl]buta-1,3-di-ene-1,1,3-tricarbonitrile (CAS 100991-84-2) is a chemical compound with molecular formula C15H13N5 and molecular weight 263.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[4-(dimethylamino)phenyl]buta-1,3-diene-1,1,3-tricarbonitrile
Also Known As: ChemDiv3_001275, .alpha.-Butyl-.alpha.-ethylcaproic acid, NCI60_020798, 2-amino-4-(4-dimethylaminophenyl)buta-1,3-diene-1,1,3-tricarbonitrile, 2-amino-4-[4-(dimethylamino)phenyl]buta-1,3-di-ene-1,1,3-tricarbonitrile
| Molecular Formula | C15H13N5 |
|---|---|
| Molecular Weight | 263.12 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.1171 |
| Heavy Atoms | 20 |
| Complexity | 543.0 |
Chemical Identifiers
| CAS Number | 100991-84-2 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C=C(C#N)C(=C(C#N)C#N)N |
| InChIKey | QUMMZKVVUJLANA-UHFFFAOYSA-N |
Product Overview
2-Amino-4-[4-(dimethylamino)phenyl]buta-1,3-di-ene-1,1,3-tricarbonitrile (CAS 100991-84-2), with molecular formula C15H13N5 and molecular weight 263.12 g/mol. IUPAC: 2-amino-4-[4-(dimethylamino)phenyl]buta-1,3-diene-1,1,3-tricarbonitrile.
Chemical Property Profile of 2-Amino-4-[4-(dimethylamino)phenyl]buta-1,3-di-ene-1,1,3-tricarbonitrile
Property Insights of 2-Amino-4-[4-(dimethylamino)phenyl]buta-1,3-di-ene-1,1,3-tricarbonitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-4-[4-(dimethylamino)phenyl]buta-1,3-di-ene-1,1,3-tricarbonitrile. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4-[4-(dimethylamino)phenyl]buta-1,3-di-ene-1,1,3-tricarbonitrile. Following Lipinski's Rule of Five, 2-Amino-4-[4-(dimethylamino)phenyl]buta-1,3-di-ene-1,1,3-tricarbonitrile has 1 hydrogen bond donor(s) and 5 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-Amino-4-[4-(dimethylamino)phenyl]buta-1,3-di-ene-1,1,3-tricarbonitrile?
The CAS number of 2-Amino-4-[4-(dimethylamino)phenyl]buta-1,3-di-ene-1,1,3-tricarbonitrile is 100991-84-2.
What is the molecular formula of 2-Amino-4-[4-(dimethylamino)phenyl]buta-1,3-di-ene-1,1,3-tricarbonitrile?
The molecular formula of 2-Amino-4-[4-(dimethylamino)phenyl]buta-1,3-di-ene-1,1,3-tricarbonitrile is C15H13N5.
What is the molecular weight of 2-Amino-4-[4-(dimethylamino)phenyl]buta-1,3-di-ene-1,1,3-tricarbonitrile?
The molecular weight of 2-Amino-4-[4-(dimethylamino)phenyl]buta-1,3-di-ene-1,1,3-tricarbonitrile is 263.12 g/mol.
Where can I buy 2-Amino-4-[4-(dimethylamino)phenyl]buta-1,3-di-ene-1,1,3-tricarbonitrile?
You can request a quote for 2-Amino-4-[4-(dimethylamino)phenyl]buta-1,3-di-ene-1,1,3-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-4-[4-(dimethylamino)phenyl]buta-1,3-di-ene-1,1,3-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4-[4-(dimethylamino)phenyl]buta-1,3-di-ene-1,1,3-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.