DISPERSE RED 88
TL;DR: DISPERSE RED 88 (CAS 16588-67-3) is a chemical compound with molecular formula C20H21N5O2S2 and molecular weight 427.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[N-ethyl-3-methyl-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile
Also Known As: DISPERSE RED 88, 3-[Ethyl[3-methyl-4-[[6-(methylsulphonyl)benzothiazol-2-yl]azo]phenyl]amino]propiononitrile, 3-[N-ethyl-3-methyl-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile, 588D673, Propanenitrile, 3-(ethyl(3-methyl-4-((6-(methylsulfonyl)-2-benzothiazolyl)azo)phenyl)amino)-
| Molecular Formula | C20H21N5O2S2 |
|---|---|
| Molecular Weight | 427.11 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.11368 |
| Heavy Atoms | 29 |
| Complexity | 729.0 |
Chemical Identifiers
| CAS Number | 16588-67-3 |
|---|---|
| SMILES | CCN(CCC#N)C1=CC(=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)C |
| InChIKey | IMWICXCTLULCFP-UHFFFAOYSA-N |
Product Overview
DISPERSE RED 88 (CAS 16588-67-3), with molecular formula C20H21N5O2S2 and molecular weight 427.11 g/mol. IUPAC: 3-[N-ethyl-3-methyl-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile.
Chemical Property Profile of DISPERSE RED 88
Property Insights of DISPERSE RED 88
The XLogP value of 4.3 indicates that DISPERSE RED 88 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for DISPERSE RED 88. Following Lipinski's Rule of Five, DISPERSE RED 88 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
Frequently Asked Questions
What is the CAS number of DISPERSE RED 88?
The CAS number of DISPERSE RED 88 is 16588-67-3.
What is the molecular formula of DISPERSE RED 88?
The molecular formula of DISPERSE RED 88 is C20H21N5O2S2.
What is the molecular weight of DISPERSE RED 88?
The molecular weight of DISPERSE RED 88 is 427.11 g/mol.
Where can I buy DISPERSE RED 88?
You can request a quote for DISPERSE RED 88 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DISPERSE RED 88?
Yes, KEHONG BIO provides custom synthesis services for DISPERSE RED 88 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.