RefChem:869033
TL;DR: RefChem:869033 (CAS 61488-78-6) is a chemical compound with molecular formula C16H11ClN6O2S and molecular weight 386.03528 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-chloro-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile
Also Known As: 2-(3-Chloro-4-(N-cyanoethylamino)phenylazo)-6-nitrobenzothiazole, Propanenitrile, 3-[[2-chloro-4-[(6-nitro-2-benzothiazolyl)azo]phenyl]amino]-, 3-((2-Chloro-4-((6-nitro-2-benzothiazolyl)azo)phenyl)amino)propiononitrile, 3-[[2-Chloro-4-[(6-nitro-2-benzothiazolyl)azo]phenyl]amino]propiononitrile, Propanenitrile, 3-((2-chloro-4-((6-nitro-2-benzothiazolyl)azo)phenyl)amino)-
Technical Specifications
| Molecular Formula | C16H11ClN6O2S |
| Molecular Weight | 386.03528 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.03528 Da |
| Heavy Atoms | 26 |
| Complexity | 579.0 |
| SMILES | C1=CC(=C(C=C1N=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)NCCC#N |
| InChIKey | NWEQNTISLULYNS-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:869033
Property Insights of RefChem:869033
The XLogP value of 5.2 indicates that RefChem:869033 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting RefChem:869033 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:869033 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:869033?
The CAS number of RefChem:869033 is 61488-78-6.
What is the molecular formula of RefChem:869033?
The molecular formula of RefChem:869033 is C16H11ClN6O2S.
What is the molecular weight of RefChem:869033?
The molecular weight of RefChem:869033 is 386.03528 g/mol.
Where can I buy RefChem:869033?
You can request a quote for RefChem:869033 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:869033?
Yes, CoreyChem provides custom synthesis services for RefChem:869033 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.