Butyl 2-(3-aminocyclopent-2-en-1-ylidene)-2-cyanoacetate
TL;DR: Butyl 2-(3-aminocyclopent-2-en-1-ylidene)-2-cyanoacetate (CAS 6331-31-3) is a chemical compound with molecular formula C12H16N2O2 and molecular weight 220.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-(3-aminocyclopent-2-en-1-ylidene)-2-cyanoacetate
Also Known As: butyl 2-(3-aminocyclopent-2-en-1-ylidene)-2-cyanoacetate, butyl(3-aminocyclopent-2-en-1-ylidene)(cyano)acetate, Butyl (3-aminocyclopent-2-en-1-ylidene)(cyano)acetate, Acetic acid,2-(3-amino-2-cyclopenten-1-ylidene)-2-cyano-, butyl ester
| Molecular Formula | C12H16N2O2 |
|---|---|
| Molecular Weight | 220.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.12119 |
| Heavy Atoms | 16 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 6331-31-3 |
|---|---|
| SMILES | CCCCOC(=O)C(=C1CCC(=C1)N)C#N |
| InChIKey | RALISPYEVZDUGA-UHFFFAOYSA-N |
Product Overview
Butyl 2-(3-aminocyclopent-2-en-1-ylidene)-2-cyanoacetate (CAS 6331-31-3), with molecular formula C12H16N2O2 and molecular weight 220.12 g/mol. IUPAC: butyl 2-(3-aminocyclopent-2-en-1-ylidene)-2-cyanoacetate.
Chemical Property Profile of Butyl 2-(3-aminocyclopent-2-en-1-ylidene)-2-cyanoacetate
Property Insights of Butyl 2-(3-aminocyclopent-2-en-1-ylidene)-2-cyanoacetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 2-(3-aminocyclopent-2-en-1-ylidene)-2-cyanoacetate. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 2-(3-aminocyclopent-2-en-1-ylidene)-2-cyanoacetate. Following Lipinski's Rule of Five, Butyl 2-(3-aminocyclopent-2-en-1-ylidene)-2-cyanoacetate 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 Butyl 2-(3-aminocyclopent-2-en-1-ylidene)-2-cyanoacetate?
The CAS number of Butyl 2-(3-aminocyclopent-2-en-1-ylidene)-2-cyanoacetate is 6331-31-3.
What is the molecular formula of Butyl 2-(3-aminocyclopent-2-en-1-ylidene)-2-cyanoacetate?
The molecular formula of Butyl 2-(3-aminocyclopent-2-en-1-ylidene)-2-cyanoacetate is C12H16N2O2.
What is the molecular weight of Butyl 2-(3-aminocyclopent-2-en-1-ylidene)-2-cyanoacetate?
The molecular weight of Butyl 2-(3-aminocyclopent-2-en-1-ylidene)-2-cyanoacetate is 220.12 g/mol.
Where can I buy Butyl 2-(3-aminocyclopent-2-en-1-ylidene)-2-cyanoacetate?
You can request a quote for Butyl 2-(3-aminocyclopent-2-en-1-ylidene)-2-cyanoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2-(3-aminocyclopent-2-en-1-ylidene)-2-cyanoacetate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2-(3-aminocyclopent-2-en-1-ylidene)-2-cyanoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.