RefChem:868897
TL;DR: RefChem:868897 (CAS 6684-20-4) is a chemical compound with molecular formula C22H21N3O2 and molecular weight 359.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2,2-dicyanoethenyl)-N-ethyl-3-methylanilino]ethyl benzoate
Also Known As: Propanedinitrile, [[4-[[2-(benzoyloxy)ethyl]ethylamino]-2-methylphenyl]methylene]-, 2-[4-(2,2-dicyanoethenyl)-N-ethyl-3-methylanilino]ethyl benzoate, 2-[[4-3-methylphenyl]ethylamino]ethylbenzoate, 2-((4-(2,2-Dicyanovinyl)-3-methylphenyl)ethylamino)ethyl benzoate, 2-[[4- -3-methylphenyl]ethylamino]ethylbenzoate
| Molecular Formula | C22H21N3O2 |
|---|---|
| Molecular Weight | 359.16 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 359.1634 |
| Heavy Atoms | 27 |
| Complexity | 600.0 |
Chemical Identifiers
| CAS Number | 6684-20-4 |
|---|---|
| SMILES | CCN(CCOC(=O)C1=CC=CC=C1)C2=CC(=C(C=C2)C=C(C#N)C#N)C |
| InChIKey | WKTUAHDEZZJAIH-UHFFFAOYSA-N |
Product Overview
RefChem:868897 (CAS 6684-20-4), with molecular formula C22H21N3O2 and molecular weight 359.16 g/mol. IUPAC: 2-[4-(2,2-dicyanoethenyl)-N-ethyl-3-methylanilino]ethyl benzoate.
Chemical Property Profile of RefChem:868897
Property Insights of RefChem:868897
The XLogP value of 4.4 indicates that RefChem:868897 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:868897. Following Lipinski's Rule of Five, RefChem:868897 has 0 hydrogen bond donor(s) and 5 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 RefChem:868897?
The CAS number of RefChem:868897 is 6684-20-4.
What is the molecular formula of RefChem:868897?
The molecular formula of RefChem:868897 is C22H21N3O2.
What is the molecular weight of RefChem:868897?
The molecular weight of RefChem:868897 is 359.16 g/mol.
Where can I buy RefChem:868897?
You can request a quote for RefChem:868897 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:868897?
Yes, KEHONG BIO provides custom synthesis services for RefChem:868897 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.