RefChem:868883
TL;DR: RefChem:868883 (CAS 54079-60-6) is a chemical compound with molecular formula C27H31N3O and molecular weight 413.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[2-(2-cyclohexylphenoxy)ethyl-ethylamino]-2-methylphenyl]methylidene]propanedinitrile
Also Known As: ((4-((2-(2-Cyclohexylphenoxy)ethyl)ethylamino)-2-methylphenyl)methylene)malononitrile, 2-[[4-[2-(2-cyclohexylphenoxy)ethyl-ethylamino]-2-methylphenyl]methylidene]propanedinitrile, (4-{[2-(2-cyclohexylphenoxy)ethyl](ethyl)amino}-2-methylbenzylidene)malononitrile, Propanedinitrile, ((4-((2-(2-cyclohexylphenoxy)ethyl)ethylamino)-2-methylphenyl)methylene)-, [[4-[[2- ethyl]ethylamino]-2-methylphenyl]methylene]malononitrile
| Molecular Formula | C27H31N3O |
|---|---|
| Molecular Weight | 413.25 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 60.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 413.2467 |
| Heavy Atoms | 31 |
| Complexity | 659.0 |
Chemical Identifiers
| CAS Number | 54079-60-6 |
|---|---|
| SMILES | CCN(CCOC1=CC=CC=C1C2CCCCC2)C3=CC(=C(C=C3)C=C(C#N)C#N)C |
| InChIKey | FGBPLWBOJNYWTG-UHFFFAOYSA-N |
Product Overview
RefChem:868883 (CAS 54079-60-6), with molecular formula C27H31N3O and molecular weight 413.25 g/mol. IUPAC: 2-[[4-[2-(2-cyclohexylphenoxy)ethyl-ethylamino]-2-methylphenyl]methylidene]propanedinitrile.
Chemical Property Profile of RefChem:868883
Property Insights of RefChem:868883
The XLogP value of 7.1 indicates that RefChem:868883 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:868883. Following Lipinski's Rule of Five, RefChem:868883 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:868883?
The CAS number of RefChem:868883 is 54079-60-6.
What is the molecular formula of RefChem:868883?
The molecular formula of RefChem:868883 is C27H31N3O.
What is the molecular weight of RefChem:868883?
The molecular weight of RefChem:868883 is 413.25 g/mol.
Where can I buy RefChem:868883?
You can request a quote for RefChem:868883 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:868883?
Yes, KEHONG BIO provides custom synthesis services for RefChem:868883 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.