FEN6BVY6C8
TL;DR: FEN6BVY6C8 (CAS 34613-03-1) is a chemical compound with molecular formula C22H20N4S2 and molecular weight 404.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl-ethylamino]-2-methylphenyl]methylidene]propanedinitrile
Also Known As: C.I. 480073, ((4-((2-(2-Benzothiazolylthio)ethyl)ethylamino)-2-methylphenyl)methylene)malononitrile, Propanedinitrile, [[4-[[2-(2-benzothiazolylthio)ethyl]ethylamino]-2-methylphenyl]methylene]-, Propanedinitrile, ((4-((2-(2-benzothiazolylthio)ethyl)ethylamino)-2-methylphenyl)methylene)-, Propanedinitrile, 2-((4-((2-(2-benzothiazolylthio)ethyl)ethylamino)-2-methylphenyl)methylene)-
| Molecular Formula | C22H20N4S2 |
|---|---|
| Molecular Weight | 404.11 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 404.11295 |
| Heavy Atoms | 28 |
| Complexity | 627.0 |
Chemical Identifiers
| CAS Number | 34613-03-1 |
|---|---|
| SMILES | CCN(CCSC1=NC2=CC=CC=C2S1)C3=CC(=C(C=C3)C=C(C#N)C#N)C |
| InChIKey | IOUGHRXCRJHWEF-UHFFFAOYSA-N |
Product Overview
FEN6BVY6C8 (CAS 34613-03-1), with molecular formula C22H20N4S2 and molecular weight 404.11 g/mol. IUPAC: 2-[[4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl-ethylamino]-2-methylphenyl]methylidene]propanedinitrile.
Chemical Property Profile of FEN6BVY6C8
Property Insights of FEN6BVY6C8
The XLogP value of 5.8 indicates that FEN6BVY6C8 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 FEN6BVY6C8. Following Lipinski's Rule of Five, FEN6BVY6C8 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 FEN6BVY6C8?
The CAS number of FEN6BVY6C8 is 34613-03-1.
What is the molecular formula of FEN6BVY6C8?
The molecular formula of FEN6BVY6C8 is C22H20N4S2.
What is the molecular weight of FEN6BVY6C8?
The molecular weight of FEN6BVY6C8 is 404.11 g/mol.
Where can I buy FEN6BVY6C8?
You can request a quote for FEN6BVY6C8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for FEN6BVY6C8?
Yes, KEHONG BIO provides custom synthesis services for FEN6BVY6C8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.