N-(4-(butan-2-yl)phenyl)-2-cyanoacetamide
TL;DR: N-(4-(butan-2-yl)phenyl)-2-cyanoacetamide (CAS 545353-03-5) is a chemical compound with molecular formula C13H16N2O and molecular weight 216.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-butan-2-ylphenyl)-2-cyanoacetamide
Also Known As: N-[4-(butan-2-yl)phenyl]-2-cyanoacetamide, N-(4-butan-2-ylphenyl)-2-cyanoacetamide, N-(4-sec-Butyl-phenyl)-2-cyano-acetamide, N-(4-(butan-2-yl)phenyl)-2-cyanoacetamide, 997-718-8
| Molecular Formula | C13H16N2O |
|---|---|
| Molecular Weight | 216.13 g/mol |
| LogP | 3.05228 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.12627 |
| Heavy Atoms | 16 |
| Complexity | 389.38876 |
Chemical Identifiers
| CAS Number | 545353-03-5 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)NC(=O)CC#N |
Product Overview
N-(4-(butan-2-yl)phenyl)-2-cyanoacetamide (CAS 545353-03-5), with molecular formula C13H16N2O and molecular weight 216.13 g/mol. IUPAC: N-(4-butan-2-ylphenyl)-2-cyanoacetamide.
Chemical Property Profile of N-(4-(butan-2-yl)phenyl)-2-cyanoacetamide
Property Insights of N-(4-(butan-2-yl)phenyl)-2-cyanoacetamide
The XLogP value of 3.05228 indicates that N-(4-(butan-2-yl)phenyl)-2-cyanoacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, N-(4-(butan-2-yl)phenyl)-2-cyanoacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-(butan-2-yl)phenyl)-2-cyanoacetamide has 1 hydrogen bond donor(s) and 2 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 N-(4-(butan-2-yl)phenyl)-2-cyanoacetamide?
The CAS number of N-(4-(butan-2-yl)phenyl)-2-cyanoacetamide is 545353-03-5.
What is the molecular formula of N-(4-(butan-2-yl)phenyl)-2-cyanoacetamide?
The molecular formula of N-(4-(butan-2-yl)phenyl)-2-cyanoacetamide is C13H16N2O.
What is the molecular weight of N-(4-(butan-2-yl)phenyl)-2-cyanoacetamide?
The molecular weight of N-(4-(butan-2-yl)phenyl)-2-cyanoacetamide is 216.13 g/mol.
Where can I buy N-(4-(butan-2-yl)phenyl)-2-cyanoacetamide?
You can request a quote for N-(4-(butan-2-yl)phenyl)-2-cyanoacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-(butan-2-yl)phenyl)-2-cyanoacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-(butan-2-yl)phenyl)-2-cyanoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.