RefChem:869068
TL;DR: RefChem:869068 (CAS 55296-90-7) is a chemical compound with molecular formula C21H20N6O2S and molecular weight 420.14 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-(3-phenylpropyl)anilino]propanenitrile
Also Known As: Propanenitrile, 3-[[4-[(5-nitro-2-thiazolyl)azo]phenyl](3-phenylpropyl)amino]-, Propanenitrile, 3-((4-((5-nitro-2-thiazolyl)azo)phenyl)(3-phenylpropyl)amino)-, Propanenitrile, 3-((4-(2-(5-nitro-2-thiazolyl)diazenyl)phenyl)(3-phenylpropyl)amino)-, Thiazole, 2-(4'-(N-(2''-cyanoethyl)-N-(3''-phenylpropyl)amino)phenylazo)-5-nitro-, 3-[[4-[(5-Nitrothiazol-2-yl)azo]phenyl](3-phenylpropyl)amino]propiononitrile
| Molecular Formula | C21H20N6O2S |
|---|---|
| Molecular Weight | 420.14 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 420.13684 |
| Heavy Atoms | 30 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 55296-90-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCN(CCC#N)C2=CC=C(C=C2)N=NC3=NC=C(S3)[N+](=O)[O-] |
| InChIKey | FOQLIEMCOIMRME-UHFFFAOYSA-N |
Product Overview
RefChem:869068 (CAS 55296-90-7), with molecular formula C21H20N6O2S and molecular weight 420.14 g/mol. IUPAC: 3-[4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]-N-(3-phenylpropyl)anilino]propanenitrile.
Chemical Property Profile of RefChem:869068
Property Insights of RefChem:869068
The XLogP value of 5.4 indicates that RefChem:869068 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:869068. Following Lipinski's Rule of Five, RefChem:869068 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:869068?
The CAS number of RefChem:869068 is 55296-90-7.
What is the molecular formula of RefChem:869068?
The molecular formula of RefChem:869068 is C21H20N6O2S.
What is the molecular weight of RefChem:869068?
The molecular weight of RefChem:869068 is 420.14 g/mol.
Where can I buy RefChem:869068?
You can request a quote for RefChem:869068 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:869068?
Yes, KEHONG BIO provides custom synthesis services for RefChem:869068 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.