Acetamide, N-(4,4-dicyano-1,3-butadien-1-yl)-N-phenyl-
TL;DR: Acetamide, N-(4,4-dicyano-1,3-butadien-1-yl)-N-phenyl- (CAS 61600-13-3) is a chemical compound with molecular formula C14H11N3O and molecular weight 237.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4,4-dicyanobuta-1,3-dienyl)-N-phenylacetamide
Also Known As: Acetamide, N-(4,4-dicyano-1,3-butadienyl)-N-phenyl-, N-(4,4-Dicyano-1,3-butadienyl)acetoanilide, N-(4,4-dicyanobuta-1,3-dienyl)-N-phenylacetamide, Acetamide, N-(4,4-dicyano-1,3-butadien-1-yl)-N-phenyl-, N-(4,4-dicyano-1,3-butadienyl)-N-phenylacetamide
| Molecular Formula | C14H11N3O |
|---|---|
| Molecular Weight | 237.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.09021 |
| Heavy Atoms | 18 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 61600-13-3 |
|---|---|
| SMILES | CC(=O)N(C=CC=C(C#N)C#N)C1=CC=CC=C1 |
| InChIKey | DEHURSMVDCYOCA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetamide, N-(4,4-dicyano-1,3-butadien-1-yl)-N-phenyl- (CAS 61600-13-3), with molecular formula C14H11N3O and molecular weight 237.09 g/mol. IUPAC: N-(4,4-dicyanobuta-1,3-dienyl)-N-phenylacetamide.
Chemical Property Profile of Acetamide, N-(4,4-dicyano-1,3-butadien-1-yl)-N-phenyl-
Property Insights of Acetamide, N-(4,4-dicyano-1,3-butadien-1-yl)-N-phenyl-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetamide, N-(4,4-dicyano-1,3-butadien-1-yl)-N-phenyl-. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetamide, N-(4,4-dicyano-1,3-butadien-1-yl)-N-phenyl-. Following Lipinski's Rule of Five, Acetamide, N-(4,4-dicyano-1,3-butadien-1-yl)-N-phenyl- has 0 hydrogen bond donor(s) and 3 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 Acetamide, N-(4,4-dicyano-1,3-butadien-1-yl)-N-phenyl-?
The CAS number of Acetamide, N-(4,4-dicyano-1,3-butadien-1-yl)-N-phenyl- is 61600-13-3.
What is the molecular formula of Acetamide, N-(4,4-dicyano-1,3-butadien-1-yl)-N-phenyl-?
The molecular formula of Acetamide, N-(4,4-dicyano-1,3-butadien-1-yl)-N-phenyl- is C14H11N3O.
What is the molecular weight of Acetamide, N-(4,4-dicyano-1,3-butadien-1-yl)-N-phenyl-?
The molecular weight of Acetamide, N-(4,4-dicyano-1,3-butadien-1-yl)-N-phenyl- is 237.09 g/mol.
Where can I buy Acetamide, N-(4,4-dicyano-1,3-butadien-1-yl)-N-phenyl-?
You can request a quote for Acetamide, N-(4,4-dicyano-1,3-butadien-1-yl)-N-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetamide, N-(4,4-dicyano-1,3-butadien-1-yl)-N-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Acetamide, N-(4,4-dicyano-1,3-butadien-1-yl)-N-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.