3-Amino-1,4-ditert-butyl-2,5-dioxocyclopent-3-ene-1-carbonitrile
TL;DR: 3-Amino-1,4-ditert-butyl-2,5-dioxocyclopent-3-ene-1-carbonitrile (CAS 56908-67-9) is a chemical compound with molecular formula C14H20N2O2 and molecular weight 248.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-1,4-ditert-butyl-2,5-dioxocyclopent-3-ene-1-carbonitrile
Also Known As: 3-amino-1,4-ditert-butyl-2,5-dioxocyclopent-3-ene-1-carbonitrile, 3-amino-1,4-ditert-butyl-2,5-dioxocyclopent-3-ene-1-carbonit, 3-Amino-1,4-di-tert-butyl-2,5-dioxocyclopent-3-ene-1-carbonitrile
| Molecular Formula | C14H20N2O2 |
|---|---|
| Molecular Weight | 248.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 84.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.15248 |
| Heavy Atoms | 18 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 56908-67-9 |
|---|---|
| SMILES | CC(C)(C)C1=C(C(=O)C(C1=O)(C#N)C(C)(C)C)N |
| InChIKey | RYLPVXFFPINOBN-UHFFFAOYSA-N |
Product Overview
3-Amino-1,4-ditert-butyl-2,5-dioxocyclopent-3-ene-1-carbonitrile (CAS 56908-67-9), with molecular formula C14H20N2O2 and molecular weight 248.15 g/mol. IUPAC: 3-amino-1,4-ditert-butyl-2,5-dioxocyclopent-3-ene-1-carbonitrile.
Chemical Property Profile of 3-Amino-1,4-ditert-butyl-2,5-dioxocyclopent-3-ene-1-carbonitrile
Property Insights of 3-Amino-1,4-ditert-butyl-2,5-dioxocyclopent-3-ene-1-carbonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-1,4-ditert-butyl-2,5-dioxocyclopent-3-ene-1-carbonitrile. The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-1,4-ditert-butyl-2,5-dioxocyclopent-3-ene-1-carbonitrile. Following Lipinski's Rule of Five, 3-Amino-1,4-ditert-butyl-2,5-dioxocyclopent-3-ene-1-carbonitrile has 1 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 3-Amino-1,4-ditert-butyl-2,5-dioxocyclopent-3-ene-1-carbonitrile?
The CAS number of 3-Amino-1,4-ditert-butyl-2,5-dioxocyclopent-3-ene-1-carbonitrile is 56908-67-9.
What is the molecular formula of 3-Amino-1,4-ditert-butyl-2,5-dioxocyclopent-3-ene-1-carbonitrile?
The molecular formula of 3-Amino-1,4-ditert-butyl-2,5-dioxocyclopent-3-ene-1-carbonitrile is C14H20N2O2.
What is the molecular weight of 3-Amino-1,4-ditert-butyl-2,5-dioxocyclopent-3-ene-1-carbonitrile?
The molecular weight of 3-Amino-1,4-ditert-butyl-2,5-dioxocyclopent-3-ene-1-carbonitrile is 248.15 g/mol.
Where can I buy 3-Amino-1,4-ditert-butyl-2,5-dioxocyclopent-3-ene-1-carbonitrile?
You can request a quote for 3-Amino-1,4-ditert-butyl-2,5-dioxocyclopent-3-ene-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-1,4-ditert-butyl-2,5-dioxocyclopent-3-ene-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-1,4-ditert-butyl-2,5-dioxocyclopent-3-ene-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.