分散红179
TL;DR: 分散红179 (CAS 16586-42-8) is a chemical compound with molecular formula C19H18N6O2S and molecular weight 394.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
分散红179
3-[N-ethyl-3-methyl-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile
Also Known As: DISPERSE RED 179, C.I. Disperse Red 179, Rubine S-2BL, CI Disperse Red 179, C.I. Disperse Violet 52
| Molecular Formula | C19H18N6O2S |
|---|---|
| Molecular Weight | 394.12 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.1212 |
| Heavy Atoms | 28 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 16586-42-8 |
|---|---|
| SMILES | CCN(CCC#N)C1=CC(=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C |
| InChIKey | WYHKEXCMJQVTSP-UHFFFAOYSA-N |
Product Overview
分散红179 (CAS 16586-42-8), with molecular formula C19H18N6O2S and molecular weight 394.12 g/mol. IUPAC: 3-[N-ethyl-3-methyl-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile.
Chemical Property Profile of 分散红179
Property Insights of 分散红179
The XLogP value of 4.9 indicates that 分散红179 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 分散红179. Following Lipinski's Rule of Five, 分散红179 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 分散红179?
The CAS number of 分散红179 is 16586-42-8.
What is the molecular formula of 分散红179?
The molecular formula of 分散红179 is C19H18N6O2S.
What is the molecular weight of 分散红179?
The molecular weight of 分散红179 is 394.12 g/mol.
Where can I buy 分散红179?
You can request a quote for 分散红179 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 分散红179?
Yes, KEHONG BIO provides custom synthesis services for 分散红179 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.