RefChem:272946
TL;DR: RefChem:272946 (CAS 25176-89-0) is a chemical compound with molecular formula C18H15Cl2N5S and molecular weight 403.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]-N-ethylanilino]propanenitrile
Also Known As: 3-[[4-[(5,6-DICHLOROBENZOTHIAZOL-2-YL)AZO]PHENYL]ETHYLAMINO]PROPIONONITRILE, 3-((4-((5,6-Dichlorobenzothiazol-2-yl)azo)phenyl)ethylamino)propiononitrile, 3-[[4-[2-(5,6-Dichloro-2-benzothiazolyl)diazenyl]phenyl]ethylamino]propanenitrile, 3-[[4-[(5,6-Dichlorobenzothiazol-2-yl)azo]phenyl]ethylamino]propanenitrile, 3-((4-((5,6-Dichlorobenzo[d]thiazol-2-yl)diazenyl)phenyl)(ethyl)amino)propanenitrile
| Molecular Formula | C18H15Cl2N5S |
|---|---|
| Molecular Weight | 403.04 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 92.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.0425 |
| Heavy Atoms | 26 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 25176-89-0 |
|---|---|
| SMILES | CCN(CCC#N)C1=CC=C(C=C1)N=NC2=NC3=CC(=C(C=C3S2)Cl)Cl |
| InChIKey | RYYROXKGNRYZSD-UHFFFAOYSA-N |
Product Overview
RefChem:272946 (CAS 25176-89-0), with molecular formula C18H15Cl2N5S and molecular weight 403.04 g/mol. IUPAC: 3-[4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]-N-ethylanilino]propanenitrile.
Chemical Property Profile of RefChem:272946
Property Insights of RefChem:272946
The XLogP value of 5.9 indicates that RefChem:272946 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:272946. Following Lipinski's Rule of Five, RefChem:272946 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:272946?
The CAS number of RefChem:272946 is 25176-89-0.
What is the molecular formula of RefChem:272946?
The molecular formula of RefChem:272946 is C18H15Cl2N5S.
What is the molecular weight of RefChem:272946?
The molecular weight of RefChem:272946 is 403.04 g/mol.
Where can I buy RefChem:272946?
You can request a quote for RefChem:272946 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:272946?
Yes, KEHONG BIO provides custom synthesis services for RefChem:272946 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.