N'-tert-butyl-N-(4-chlorophenyl)ethanimidamide
TL;DR: N'-tert-butyl-N-(4-chlorophenyl)ethanimidamide (CAS 42717-44-2) is a chemical compound with molecular formula C12H17ClN2 and molecular weight 224.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-tert-butyl-N-(4-chlorophenyl)ethanimidamide
Also Known As: N'-tert-butyl-N-(4-chlorophenyl)ethanimidamide, (1E)-N'-tert-Butyl-N-(4-chlorophenyl)ethanimidamide
| Molecular Formula | C12H17ClN2 |
|---|---|
| Molecular Weight | 224.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 24.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.10803 |
| Heavy Atoms | 15 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 42717-44-2 |
|---|---|
| SMILES | CC(=NC(C)(C)C)NC1=CC=C(C=C1)Cl |
| InChIKey | YZOLJYKCDKMQJZ-UHFFFAOYSA-N |
Product Overview
N'-tert-butyl-N-(4-chlorophenyl)ethanimidamide (CAS 42717-44-2), with molecular formula C12H17ClN2 and molecular weight 224.11 g/mol. IUPAC: N'-tert-butyl-N-(4-chlorophenyl)ethanimidamide.
Chemical Property Profile of N'-tert-butyl-N-(4-chlorophenyl)ethanimidamide
Property Insights of N'-tert-butyl-N-(4-chlorophenyl)ethanimidamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-tert-butyl-N-(4-chlorophenyl)ethanimidamide. With a topological polar surface area (TPSA) of 24.4 Ų, N'-tert-butyl-N-(4-chlorophenyl)ethanimidamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-tert-butyl-N-(4-chlorophenyl)ethanimidamide has 1 hydrogen bond donor(s) and 1 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'-tert-butyl-N-(4-chlorophenyl)ethanimidamide?
The CAS number of N'-tert-butyl-N-(4-chlorophenyl)ethanimidamide is 42717-44-2.
What is the molecular formula of N'-tert-butyl-N-(4-chlorophenyl)ethanimidamide?
The molecular formula of N'-tert-butyl-N-(4-chlorophenyl)ethanimidamide is C12H17ClN2.
What is the molecular weight of N'-tert-butyl-N-(4-chlorophenyl)ethanimidamide?
The molecular weight of N'-tert-butyl-N-(4-chlorophenyl)ethanimidamide is 224.11 g/mol.
Where can I buy N'-tert-butyl-N-(4-chlorophenyl)ethanimidamide?
You can request a quote for N'-tert-butyl-N-(4-chlorophenyl)ethanimidamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-tert-butyl-N-(4-chlorophenyl)ethanimidamide?
Yes, KEHONG BIO provides custom synthesis services for N'-tert-butyl-N-(4-chlorophenyl)ethanimidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.