RefChem:868894
TL;DR: RefChem:868894 (CAS 69912-93-2) is a chemical compound with molecular formula C20H23N3O2 and molecular weight 337.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-(2,2-dicyanoethenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl acetate
Also Known As: ((1-(2-Acetoxyethyl)-1,2,3,4-tetrahydro-2,2,4-trimethyl-6-quinolinyl)methylene)malononitrile, Propanedinitrile, ((1-(2-(acetyloxy)ethyl)-1,2,3,4-tetrahydro-2,2,4-trimethyl-6-quinolinyl)methylene)-, Propanedinitrile, 2-((1-(2-(acetyloxy)ethyl)-1,2,3,4-tetrahydro-2,2,4-trimethyl-6-quinolinyl)methylene)-, Propanedinitrile, [[1-[2-(acetyloxy)ethyl]-1,2,3,4-tetrahydro-2,2,4-trimethyl-6-quinolinyl]methylene]-, Propanedinitrile, 2-[[1-[2-(acetyloxy)ethyl]-1,2,3,4-tetrahydro-2,2,4-trimethyl-6-quinolinyl]methylene]-
| Molecular Formula | C20H23N3O2 |
|---|---|
| Molecular Weight | 337.18 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.17902 |
| Heavy Atoms | 25 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 69912-93-2 |
|---|---|
| SMILES | CC1CC(N(C2=C1C=C(C=C2)C=C(C#N)C#N)CCOC(=O)C)(C)C |
| InChIKey | AJZHCUYPQMCHFW-UHFFFAOYSA-N |
Product Overview
RefChem:868894 (CAS 69912-93-2), with molecular formula C20H23N3O2 and molecular weight 337.18 g/mol. IUPAC: 2-[6-(2,2-dicyanoethenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl acetate.
Chemical Property Profile of RefChem:868894
Property Insights of RefChem:868894
The XLogP value of 3.3 indicates that RefChem:868894 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:868894. Following Lipinski's Rule of Five, RefChem:868894 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:868894?
The CAS number of RefChem:868894 is 69912-93-2.
What is the molecular formula of RefChem:868894?
The molecular formula of RefChem:868894 is C20H23N3O2.
What is the molecular weight of RefChem:868894?
The molecular weight of RefChem:868894 is 337.18 g/mol.
Where can I buy RefChem:868894?
You can request a quote for RefChem:868894 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:868894?
Yes, KEHONG BIO provides custom synthesis services for RefChem:868894 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.