RefChem:275230
TL;DR: RefChem:275230 (CAS 61852-41-3) is a chemical compound with molecular formula C20H19Cl2N5S and molecular weight 431.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[N-butyl-4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile
Also Known As: Propanenitrile, 3-(butyl(4-((5,6-dichloro-2-benzothiazolyl)azo)phenyl)amino)-, Propanenitrile, 3-[butyl[4-[(5,6-dichloro-2-benzothiazolyl)azo]phenyl]amino]-, 3-[N-butyl-4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile, Propanenitrile, 3-(butyl(4-(2-(5,6-dichloro-2-benzothiazolyl)diazenyl)phenyl)amino)-, 3-[Butyl[4-[(5,6-dichlorobenzothiazol-2-yl)azo]phenyl]amino]propanenitrile
| Molecular Formula | C20H19Cl2N5S |
|---|---|
| Molecular Weight | 431.07 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 92.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 431.07382 |
| Heavy Atoms | 28 |
| Complexity | 560.0 |
Chemical Identifiers
| CAS Number | 61852-41-3 |
|---|---|
| SMILES | CCCCN(CCC#N)C1=CC=C(C=C1)N=NC2=NC3=CC(=C(C=C3S2)Cl)Cl |
| InChIKey | YRHWNRQCJVPPIQ-UHFFFAOYSA-N |
Product Overview
RefChem:275230 (CAS 61852-41-3), with molecular formula C20H19Cl2N5S and molecular weight 431.07 g/mol. IUPAC: 3-[N-butyl-4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile.
Chemical Property Profile of RefChem:275230
Property Insights of RefChem:275230
The XLogP value of 6.8 indicates that RefChem:275230 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:275230. Following Lipinski's Rule of Five, RefChem:275230 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:275230?
The CAS number of RefChem:275230 is 61852-41-3.
What is the molecular formula of RefChem:275230?
The molecular formula of RefChem:275230 is C20H19Cl2N5S.
What is the molecular weight of RefChem:275230?
The molecular weight of RefChem:275230 is 431.07 g/mol.
Where can I buy RefChem:275230?
You can request a quote for RefChem:275230 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:275230?
Yes, KEHONG BIO provides custom synthesis services for RefChem:275230 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.