N-benzyl-2-(4-tert-butylcyclohexylidene)-2-cyanoacetamide
TL;DR: N-benzyl-2-(4-tert-butylcyclohexylidene)-2-cyanoacetamide (CAS 588692-43-7) is a chemical compound with molecular formula C20H26N2O and molecular weight 310.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-(4-tert-butylcyclohexylidene)-2-cyanoacetamide
Also Known As: N-benzyl-2-(4-tert-butylcyclohexylidene)-2-cyanoacetamide, 2-Cyano-2-[4-(1,1-dimethylethyl)cyclohexylidene]-N-(phenylmethyl)acetamide, N-benzyl-2-cyano-2-(4-tert-butylcyclohexylidene)acetamide, 2-[4-(tert-butyl)cyclohexylidene]-2-cyano-N-benzylacetamide
| Molecular Formula | C20H26N2O |
|---|---|
| Molecular Weight | 310.20 g/mol |
| LogP | 4.35928 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.2045 |
| Heavy Atoms | 23 |
| Complexity | 607.28204 |
Chemical Identifiers
| CAS Number | 588692-43-7 |
|---|---|
| SMILES | CC(C)(C)C1CCC(=C(C#N)C(=O)NCC2=CC=CC=C2)CC1 |
Product Overview
N-benzyl-2-(4-tert-butylcyclohexylidene)-2-cyanoacetamide (CAS 588692-43-7), with molecular formula C20H26N2O and molecular weight 310.20 g/mol. IUPAC: N-benzyl-2-(4-tert-butylcyclohexylidene)-2-cyanoacetamide.
Chemical Property Profile of N-benzyl-2-(4-tert-butylcyclohexylidene)-2-cyanoacetamide
Property Insights of N-benzyl-2-(4-tert-butylcyclohexylidene)-2-cyanoacetamide
The XLogP value of 4.35928 indicates that N-benzyl-2-(4-tert-butylcyclohexylidene)-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-benzyl-2-(4-tert-butylcyclohexylidene)-2-cyanoacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-2-(4-tert-butylcyclohexylidene)-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-benzyl-2-(4-tert-butylcyclohexylidene)-2-cyanoacetamide?
The CAS number of N-benzyl-2-(4-tert-butylcyclohexylidene)-2-cyanoacetamide is 588692-43-7.
What is the molecular formula of N-benzyl-2-(4-tert-butylcyclohexylidene)-2-cyanoacetamide?
The molecular formula of N-benzyl-2-(4-tert-butylcyclohexylidene)-2-cyanoacetamide is C20H26N2O.
What is the molecular weight of N-benzyl-2-(4-tert-butylcyclohexylidene)-2-cyanoacetamide?
The molecular weight of N-benzyl-2-(4-tert-butylcyclohexylidene)-2-cyanoacetamide is 310.20 g/mol.
Where can I buy N-benzyl-2-(4-tert-butylcyclohexylidene)-2-cyanoacetamide?
You can request a quote for N-benzyl-2-(4-tert-butylcyclohexylidene)-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-benzyl-2-(4-tert-butylcyclohexylidene)-2-cyanoacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2-(4-tert-butylcyclohexylidene)-2-cyanoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.