![3-[2-Cyanoethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propanenitrile structure](/static/products/3006/300686-13-9.webp)
3-[2-Cyanoethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propanenitrile
TL;DR: 3-[2-Cyanoethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propanenitrile (CAS 300686-13-9) is a chemical compound with molecular formula C13H11N5O2S and molecular weight 301.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-cyanoethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propanenitrile
Also Known As: BAS 00398606, 3-[2-cyanoethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propanenitrile, 3-[(2-cyanoethyl)(6-nitrobenzothiazol-2-yl)amino]propanenitrile, 3-((2-cyanoethyl){6-nitro-1,3-benzothiazol-2-yl}amino)propanenitrile, 3-[(2-Cyano-ethyl)-(6-nitro-benzothiazol-2-yl)-amino]-propionitrile
| Molecular Formula | C13H11N5O2S |
|---|---|
| Molecular Weight | 301.06 g/mol |
| LogP | 2.83826 |
| Topological Polar Surface Area | 106.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.06335 |
| Heavy Atoms | 21 |
| Complexity | 725.0801 |
Chemical Identifiers
| CAS Number | 300686-13-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)N(CCC#N)CCC#N |
Product Overview
3-[2-Cyanoethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propanenitrile (CAS 300686-13-9), with molecular formula C13H11N5O2S and molecular weight 301.06 g/mol. IUPAC: 3-[2-cyanoethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propanenitrile.
Chemical Property Profile of 3-[2-Cyanoethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propanenitrile
Property Insights of 3-[2-Cyanoethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propanenitrile
The XLogP value of 2.83826 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-Cyanoethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propanenitrile. The TPSA of 106.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-Cyanoethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propanenitrile. Following Lipinski's Rule of Five, 3-[2-Cyanoethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propanenitrile has 0 hydrogen bond donor(s) and 7 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-[2-Cyanoethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propanenitrile?
The CAS number of 3-[2-Cyanoethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propanenitrile is 300686-13-9.
What is the molecular formula of 3-[2-Cyanoethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propanenitrile?
The molecular formula of 3-[2-Cyanoethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propanenitrile is C13H11N5O2S.
What is the molecular weight of 3-[2-Cyanoethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propanenitrile?
The molecular weight of 3-[2-Cyanoethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propanenitrile is 301.06 g/mol.
Where can I buy 3-[2-Cyanoethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propanenitrile?
You can request a quote for 3-[2-Cyanoethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-Cyanoethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-Cyanoethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.