3-(N-(2-Hydroxyethyl)-p-((6-nitrobenzothiazol-2-yl)azo)anilino)propiononitrile
TL;DR: 3-(N-(2-Hydroxyethyl)-p-((6-nitrobenzothiazol-2-yl)azo)anilino)propiononitrile (CAS 24112-29-6) is a chemical compound with molecular formula C18H16N6O3S and molecular weight 396.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[N-(2-hydroxyethyl)-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile
Also Known As: 3-(N-(2-Hydroxyethyl)-p-((6-nitrobenzothiazol-2-yl)azo)anilino)propiononitrile, 3-[N-(2-hydroxyethyl)-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile, 3-[(2-Hydroxyethyl)[4-[2-(6-nitro-2-benzothiazolyl)diazenyl]phenyl]amino]propanenitrile, 3-[(2-Hydroxyethyl){4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl}amino]propanenitrile, 3-[N-(2-Hydroxyethyl)-p-(6-nitrobenzothiazol-2-ylazo)anilino]propiononitrile
| Molecular Formula | C18H16N6O3S |
|---|---|
| Molecular Weight | 396.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.10046 |
| Heavy Atoms | 28 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 24112-29-6 |
|---|---|
| SMILES | C1=CC(=CC=C1N=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])N(CCC#N)CCO |
| InChIKey | LVDNXHCLMAIUDS-UHFFFAOYSA-N |
Product Overview
3-(N-(2-Hydroxyethyl)-p-((6-nitrobenzothiazol-2-yl)azo)anilino)propiononitrile (CAS 24112-29-6), with molecular formula C18H16N6O3S and molecular weight 396.10 g/mol. IUPAC: 3-[N-(2-hydroxyethyl)-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile.
Chemical Property Profile of 3-(N-(2-Hydroxyethyl)-p-((6-nitrobenzothiazol-2-yl)azo)anilino)propiononitrile
Property Insights of 3-(N-(2-Hydroxyethyl)-p-((6-nitrobenzothiazol-2-yl)azo)anilino)propiononitrile
The XLogP value of 3.4 indicates that 3-(N-(2-Hydroxyethyl)-p-((6-nitrobenzothiazol-2-yl)azo)anilino)propiononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.0 Ų indicates high polarity, suggesting 3-(N-(2-Hydroxyethyl)-p-((6-nitrobenzothiazol-2-yl)azo)anilino)propiononitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(N-(2-Hydroxyethyl)-p-((6-nitrobenzothiazol-2-yl)azo)anilino)propiononitrile has 1 hydrogen bond donor(s) and 9 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 3-(N-(2-Hydroxyethyl)-p-((6-nitrobenzothiazol-2-yl)azo)anilino)propiononitrile?
The CAS number of 3-(N-(2-Hydroxyethyl)-p-((6-nitrobenzothiazol-2-yl)azo)anilino)propiononitrile is 24112-29-6.
What is the molecular formula of 3-(N-(2-Hydroxyethyl)-p-((6-nitrobenzothiazol-2-yl)azo)anilino)propiononitrile?
The molecular formula of 3-(N-(2-Hydroxyethyl)-p-((6-nitrobenzothiazol-2-yl)azo)anilino)propiononitrile is C18H16N6O3S.
What is the molecular weight of 3-(N-(2-Hydroxyethyl)-p-((6-nitrobenzothiazol-2-yl)azo)anilino)propiononitrile?
The molecular weight of 3-(N-(2-Hydroxyethyl)-p-((6-nitrobenzothiazol-2-yl)azo)anilino)propiononitrile is 396.10 g/mol.
Where can I buy 3-(N-(2-Hydroxyethyl)-p-((6-nitrobenzothiazol-2-yl)azo)anilino)propiononitrile?
You can request a quote for 3-(N-(2-Hydroxyethyl)-p-((6-nitrobenzothiazol-2-yl)azo)anilino)propiononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(N-(2-Hydroxyethyl)-p-((6-nitrobenzothiazol-2-yl)azo)anilino)propiononitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(N-(2-Hydroxyethyl)-p-((6-nitrobenzothiazol-2-yl)azo)anilino)propiononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.