1,4,6,9-Tetrachloro-10h-phenothiazine-2-carbonitrile
TL;DR: 1,4,6,9-Tetrachloro-10h-phenothiazine-2-carbonitrile (CAS 5871-94-3) is a chemical compound with molecular formula C13H4Cl4N2S and molecular weight 359.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,6,9-tetrachloro-10H-phenothiazine-2-carbonitrile
Also Known As: KST-1B5942, 1,4,6,9-tetrachloro-10h-phenothiazine-2-carbonitrile, 1,6,9-TETRACHLOROPHENOTHIAZINE-2-CARBONITRILE, 1,4,6,9-TETRACHLOROPHENOTHIAZINE-2-CARBONITRILE
| Molecular Formula | C13H4Cl4N2S |
|---|---|
| Molecular Weight | 359.88 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 359.88492 |
| Heavy Atoms | 20 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 5871-94-3 |
|---|---|
| SMILES | C1=CC(=C2C(=C1Cl)NC3=C(C(=CC(=C3S2)Cl)C#N)Cl)Cl |
| InChIKey | BKQJPTSAMDEYFZ-UHFFFAOYSA-N |
Product Overview
1,4,6,9-Tetrachloro-10h-phenothiazine-2-carbonitrile (CAS 5871-94-3), with molecular formula C13H4Cl4N2S and molecular weight 359.88 g/mol. IUPAC: 1,4,6,9-tetrachloro-10H-phenothiazine-2-carbonitrile.
Chemical Property Profile of 1,4,6,9-Tetrachloro-10h-phenothiazine-2-carbonitrile
Property Insights of 1,4,6,9-Tetrachloro-10h-phenothiazine-2-carbonitrile
The XLogP value of 5.8 indicates that 1,4,6,9-Tetrachloro-10h-phenothiazine-2-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4,6,9-Tetrachloro-10h-phenothiazine-2-carbonitrile. Following Lipinski's Rule of Five, 1,4,6,9-Tetrachloro-10h-phenothiazine-2-carbonitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4,6,9-Tetrachloro-10h-phenothiazine-2-carbonitrile?
The CAS number of 1,4,6,9-Tetrachloro-10h-phenothiazine-2-carbonitrile is 5871-94-3.
What is the molecular formula of 1,4,6,9-Tetrachloro-10h-phenothiazine-2-carbonitrile?
The molecular formula of 1,4,6,9-Tetrachloro-10h-phenothiazine-2-carbonitrile is C13H4Cl4N2S.
What is the molecular weight of 1,4,6,9-Tetrachloro-10h-phenothiazine-2-carbonitrile?
The molecular weight of 1,4,6,9-Tetrachloro-10h-phenothiazine-2-carbonitrile is 359.88 g/mol.
Where can I buy 1,4,6,9-Tetrachloro-10h-phenothiazine-2-carbonitrile?
You can request a quote for 1,4,6,9-Tetrachloro-10h-phenothiazine-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,6,9-Tetrachloro-10h-phenothiazine-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,4,6,9-Tetrachloro-10h-phenothiazine-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.