CTK8D6001
TL;DR: CTK8D6001 (CAS 12223-30-2) is a chemical compound with molecular formula C19H21ClN4O2S and molecular weight 404.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-chloro-N-ethyl-3-methyl-4-[(4-methylsulfonylphenyl)diazenyl]anilino]propanenitrile
Also Known As: 3-[(2-chloro-3-methyl-4-{(e)-[4-(methylsulfonyl)phenyl]diazenyl}phenyl)(ethyl)amino]propanenitrile, 3-[2-chloro-N-ethyl-3-methyl-4-[(4-methylsulfonylphenyl)diazenyl]anilino]propanenitrile, 3-((4-((2-Chloro-4-(methylsulphonyl)phenyl)azo)-3-methylphenyl)ethylamino)propiononitrile, 3-[2-Chloro-N-ethyl-3-methyl-4-(4-methylsulfonylphenyl)diazenylanilino]propanenitrile, Propanenitrile,3-[[4-[2-[2-chloro-4-(methylsulfonyl)phenyl]diazenyl]-3-methylphenyl]ethylamino]-
| Molecular Formula | C19H21ClN4O2S |
|---|---|
| Molecular Weight | 404.11 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 94.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 404.10736 |
| Heavy Atoms | 27 |
| Complexity | 646.0 |
Chemical Identifiers
| CAS Number | 12223-30-2 |
|---|---|
| SMILES | CCN(CCC#N)C1=C(C(=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)C)C)Cl |
| InChIKey | AEKPJOFWOXYCQJ-UHFFFAOYSA-N |
Product Overview
CTK8D6001 (CAS 12223-30-2), with molecular formula C19H21ClN4O2S and molecular weight 404.11 g/mol. IUPAC: 3-[2-chloro-N-ethyl-3-methyl-4-[(4-methylsulfonylphenyl)diazenyl]anilino]propanenitrile.
Chemical Property Profile of CTK8D6001
Property Insights of CTK8D6001
The XLogP value of 4.1 indicates that CTK8D6001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK8D6001. Following Lipinski's Rule of Five, CTK8D6001 has 0 hydrogen bond donor(s) and 6 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 CTK8D6001?
The CAS number of CTK8D6001 is 12223-30-2.
What is the molecular formula of CTK8D6001?
The molecular formula of CTK8D6001 is C19H21ClN4O2S.
What is the molecular weight of CTK8D6001?
The molecular weight of CTK8D6001 is 404.11 g/mol.
Where can I buy CTK8D6001?
You can request a quote for CTK8D6001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK8D6001?
Yes, KEHONG BIO provides custom synthesis services for CTK8D6001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.