RefChem:869064
TL;DR: RefChem:869064 (CAS 28824-41-1) is a chemical compound with molecular formula C18H15Br2N5S and molecular weight 490.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[4-[(4,6-dibromo-1,3-benzothiazol-2-yl)diazenyl]phenyl]ethylamino]propanenitrile
Also Known As: 3-((4-((4,6-Dibromo-2-benzothiazolyl)azo)phenyl)ethylamino)propanenitrile, Propanenitrile, 3-[[4-[(4,6-dibromo-2-benzothiazolyl)azo]phenyl]ethylamino]-, Propanenitrile, 3-((4-((4,6-dibromo-2-benzothiazolyl)azo)phenyl)ethylamino)-, 3-[(2-{4-[(e)-(4,6-dibromo-1,3-benzothiazol-2-yl)diazenyl]phenyl}ethyl)amino]propanenitrile, 3-[[4-[2-(4,6-Dibromo-2-benzothiazolyl)diazenyl]phenyl]ethylamino]propanenitrile
| Molecular Formula | C18H15Br2N5S |
|---|---|
| Molecular Weight | 490.94 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 492.93945 |
| Heavy Atoms | 26 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 28824-41-1 |
|---|---|
| SMILES | C1=CC(=CC=C1CCNCCC#N)N=NC2=NC3=C(S2)C=C(C=C3Br)Br |
| InChIKey | QAGFZRDAAOJOTL-UHFFFAOYSA-N |
Product Overview
RefChem:869064 (CAS 28824-41-1), with molecular formula C18H15Br2N5S and molecular weight 490.94 g/mol. IUPAC: 3-[2-[4-[(4,6-dibromo-1,3-benzothiazol-2-yl)diazenyl]phenyl]ethylamino]propanenitrile.
Chemical Property Profile of RefChem:869064
Property Insights of RefChem:869064
The XLogP value of 5.4 indicates that RefChem:869064 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:869064. Following Lipinski's Rule of Five, RefChem:869064 has 1 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:869064?
The CAS number of RefChem:869064 is 28824-41-1.
What is the molecular formula of RefChem:869064?
The molecular formula of RefChem:869064 is C18H15Br2N5S.
What is the molecular weight of RefChem:869064?
The molecular weight of RefChem:869064 is 490.94 g/mol.
Where can I buy RefChem:869064?
You can request a quote for RefChem:869064 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:869064?
Yes, KEHONG BIO provides custom synthesis services for RefChem:869064 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.