RefChem:868893
TL;DR: RefChem:868893 (CAS 67752-53-8) is a chemical compound with molecular formula C25H24N4S2 and molecular weight 444.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methylidene]propanedinitrile
Also Known As: 6-(2,2-Dicyanovinyl)-1-(2-(2-benzothiazolylthio)ethyl)-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline, 2-[(4-amino-6-butoxy-1,3,5-triazin-2-yl)amino]propan-2-ol, Propanedinitrile, ((1-(2-(2-benzothiazolylthio)ethyl)-1,2,3,4-tetrahydro-2,2,4-trimethyl-6-quinolinyl)methylene)-, Propanedinitrile, 2-((1-(2-(2-benzothiazolylthio)ethyl)-1,2,3,4-tetrahydro-2,2,4-trimethyl-6-quinolinyl)methylene)-, 2-((1-(2-(Benzo[d]thiazol-2-ylthio)ethyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-yl)methylene)malononitrile
| Molecular Formula | C25H24N4S2 |
|---|---|
| Molecular Weight | 444.14 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.14423 |
| Heavy Atoms | 31 |
| Complexity | 757.0 |
Chemical Identifiers
| CAS Number | 67752-53-8 |
|---|---|
| SMILES | CC1CC(N(C2=C1C=C(C=C2)C=C(C#N)C#N)CCSC3=NC4=CC=CC=C4S3)(C)C |
| InChIKey | KUWSCZAJGCYZFJ-UHFFFAOYSA-N |
Product Overview
RefChem:868893 (CAS 67752-53-8), with molecular formula C25H24N4S2 and molecular weight 444.14 g/mol. IUPAC: 2-[[1-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methylidene]propanedinitrile.
Chemical Property Profile of RefChem:868893
Property Insights of RefChem:868893
The XLogP value of 6.5 indicates that RefChem:868893 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:868893. Following Lipinski's Rule of Five, RefChem:868893 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:868893?
The CAS number of RefChem:868893 is 67752-53-8.
What is the molecular formula of RefChem:868893?
The molecular formula of RefChem:868893 is C25H24N4S2.
What is the molecular weight of RefChem:868893?
The molecular weight of RefChem:868893 is 444.14 g/mol.
Where can I buy RefChem:868893?
You can request a quote for RefChem:868893 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:868893?
Yes, KEHONG BIO provides custom synthesis services for RefChem:868893 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.