3-Amino-4-butanoyl-5-phenylcyclopenta-2,4-diene-1,1,2-tricarbonitrile
TL;DR: 3-Amino-4-butanoyl-5-phenylcyclopenta-2,4-diene-1,1,2-tricarbonitrile (CAS 294875-58-4) is a chemical compound with molecular formula C18H14N4O and molecular weight 302.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-butanoyl-5-phenylcyclopenta-2,4-diene-1,1,2-tricarbonitrile
Also Known As: 3-amino-4-butanoyl-5-phenylcyclopenta-2,4-diene-1,1,2-tricarbonitrile, 3-Amino-4-butyryl-5-phenyl-2,4-cyclopentadiene-1,1,2-tricarbonitrile, 3-amino-4-butyryl-5-phenylcyclopenta-2,4-diene-1,1,2-tricarbonitrile
| Molecular Formula | C18H14N4O |
|---|---|
| Molecular Weight | 302.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.11676 |
| Heavy Atoms | 23 |
| Complexity | 722.0 |
Chemical Identifiers
| CAS Number | 294875-58-4 |
|---|---|
| SMILES | CCCC(=O)C1=C(C(C(=C1N)C#N)(C#N)C#N)C2=CC=CC=C2 |
| InChIKey | YYFGDUQNTHGTRZ-UHFFFAOYSA-N |
Product Overview
3-Amino-4-butanoyl-5-phenylcyclopenta-2,4-diene-1,1,2-tricarbonitrile (CAS 294875-58-4), with molecular formula C18H14N4O and molecular weight 302.12 g/mol. IUPAC: 3-amino-4-butanoyl-5-phenylcyclopenta-2,4-diene-1,1,2-tricarbonitrile.
Chemical Property Profile of 3-Amino-4-butanoyl-5-phenylcyclopenta-2,4-diene-1,1,2-tricarbonitrile
Property Insights of 3-Amino-4-butanoyl-5-phenylcyclopenta-2,4-diene-1,1,2-tricarbonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-4-butanoyl-5-phenylcyclopenta-2,4-diene-1,1,2-tricarbonitrile. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-4-butanoyl-5-phenylcyclopenta-2,4-diene-1,1,2-tricarbonitrile. Following Lipinski's Rule of Five, 3-Amino-4-butanoyl-5-phenylcyclopenta-2,4-diene-1,1,2-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 3-Amino-4-butanoyl-5-phenylcyclopenta-2,4-diene-1,1,2-tricarbonitrile?
The CAS number of 3-Amino-4-butanoyl-5-phenylcyclopenta-2,4-diene-1,1,2-tricarbonitrile is 294875-58-4.
What is the molecular formula of 3-Amino-4-butanoyl-5-phenylcyclopenta-2,4-diene-1,1,2-tricarbonitrile?
The molecular formula of 3-Amino-4-butanoyl-5-phenylcyclopenta-2,4-diene-1,1,2-tricarbonitrile is C18H14N4O.
What is the molecular weight of 3-Amino-4-butanoyl-5-phenylcyclopenta-2,4-diene-1,1,2-tricarbonitrile?
The molecular weight of 3-Amino-4-butanoyl-5-phenylcyclopenta-2,4-diene-1,1,2-tricarbonitrile is 302.12 g/mol.
Where can I buy 3-Amino-4-butanoyl-5-phenylcyclopenta-2,4-diene-1,1,2-tricarbonitrile?
You can request a quote for 3-Amino-4-butanoyl-5-phenylcyclopenta-2,4-diene-1,1,2-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-4-butanoyl-5-phenylcyclopenta-2,4-diene-1,1,2-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4-butanoyl-5-phenylcyclopenta-2,4-diene-1,1,2-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.