RefChem:177639
TL;DR: RefChem:177639 (CAS 14408-21-0) is a chemical compound with molecular formula C18H19ClN6O2S and molecular weight 418.09787 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-ethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]-N-(2-pyridin-1-ium-1-ylethyl)aniline chloride
Also Known As: KST-1B0514, 1-[2-[ETHYL[4-[(5-NITROTHIAZOL-2-YL)AZO]PHENYL]AMINO]ETHYL]PYRIDINIUM CHLORIDE, 1-[2-(ethyl{4-[(e)-(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl}amino)ethyl]pyridinium chloride, N-ethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]-N-(2-pyridin-1-ium-1-ylethyl)aniline;chloride, Pyridinium, 1-(2-(ethyl(4-((5-nitro-2-thiazolyl)azo)phenyl)amino)ethyl)-, chloride
Technical Specifications
| Molecular Formula | C18H19ClN6O2S |
| Molecular Weight | 418.09787 g/mol |
| XLogP | 1.28 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.09787 Da |
| Heavy Atoms | 28 |
| Complexity | 489.0 |
| SMILES | CCN(CC[N+]1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=NC=C(S3)[N+](=O)[O-].[Cl-] |
| InChIKey | VNPDCVHWYZIKRH-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:177639
Property Insights of RefChem:177639
The XLogP value of 1.28 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:177639. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:177639. Following Lipinski's Rule of Five, RefChem:177639 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:177639?
The CAS number of RefChem:177639 is 14408-21-0.
What is the molecular formula of RefChem:177639?
The molecular formula of RefChem:177639 is C18H19ClN6O2S.
What is the molecular weight of RefChem:177639?
The molecular weight of RefChem:177639 is 418.09787 g/mol.
Where can I buy RefChem:177639?
You can request a quote for RefChem:177639 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:177639?
Yes, CoreyChem provides custom synthesis services for RefChem:177639 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.