RefChem:869067
TL;DR: RefChem:869067 (CAS 19745-44-9) is a chemical compound with molecular formula C20H18N6O2S and molecular weight 406.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]-N-(2-phenylethyl)anilino]propanenitrile
Also Known As: 3-[4-[(5-nitrothiazol-2-yl)azo](2-phenylethyl)amino]propiononitrile, Propanenitrile, 3-(4-((5-nitro-2-thiazolyl)azo)(2-phenylethyl)amino)-, Propanenitrile, 3-[4-[(5-nitro-2-thiazolyl)azo](2-phenylethyl)amino]-, 3-(4-((5-Nitrothiazol-2-yl)azo)(2-phenylethyl)amino)propiononitrile, 3-[{4-[(e)-(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl}(2-phenylethyl)amino]propanenitrile
| Molecular Formula | C20H18N6O2S |
|---|---|
| Molecular Weight | 406.12 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 406.1212 |
| Heavy Atoms | 29 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 19745-44-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN(CCC#N)C2=CC=C(C=C2)N=NC3=NC=C(S3)[N+](=O)[O-] |
| InChIKey | UCYGCDJAPVVJGP-UHFFFAOYSA-N |
Product Overview
RefChem:869067 (CAS 19745-44-9), with molecular formula C20H18N6O2S and molecular weight 406.12 g/mol. IUPAC: 3-[4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]-N-(2-phenylethyl)anilino]propanenitrile.
Chemical Property Profile of RefChem:869067
Property Insights of RefChem:869067
The XLogP value of 5.0 indicates that RefChem:869067 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 RefChem:869067. Following Lipinski's Rule of Five, RefChem:869067 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 RefChem:869067?
The CAS number of RefChem:869067 is 19745-44-9.
What is the molecular formula of RefChem:869067?
The molecular formula of RefChem:869067 is C20H18N6O2S.
What is the molecular weight of RefChem:869067?
The molecular weight of RefChem:869067 is 406.12 g/mol.
Where can I buy RefChem:869067?
You can request a quote for RefChem:869067 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:869067?
Yes, KEHONG BIO provides custom synthesis services for RefChem:869067 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.