RefChem:869057
TL;DR: RefChem:869057 (CAS 67874-56-0) is a chemical compound with molecular formula C18H17BrClN5O3 and molecular weight 465.02032 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-[(2-bromo-6-chloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]propanenitrile
Also Known As: 3-(4-((2-Bromo-6-chloro-4-nitrophenyl)azo)-N-(2-hydroxyethyl)-m-toluidino)propionitrile, Propanenitrile, 3-((4-((2-bromo-6-chloro-4-nitrophenyl)azo)-3-methylphenyl)(2-hydroxyethyl)amino)-, Propanenitrile, 3-((4-(2-(2-bromo-6-chloro-4-nitrophenyl)diazenyl)-3-methylphenyl)(2-hydroxyethyl)amino)-, Propanenitrile, 3-[[4-[(2-bromo-6-chloro-4-nitrophenyl)azo]-3-methylphenyl](2-hydroxyethyl)amino]-, Propanenitrile, 3-[[4-[2-(2-bromo-6-chloro-4-nitrophenyl)diazenyl]-3-methylphenyl](2-hydroxyethyl)amino]-
Technical Specifications
| Molecular Formula | C18H17BrClN5O3 |
| Molecular Weight | 465.02032 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 465.02032 Da |
| Heavy Atoms | 28 |
| Complexity | 596.0 |
| SMILES | CC1=C(C=CC(=C1)N(CCC#N)CCO)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])Cl |
| InChIKey | KNLRNIIYSGYUCY-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:869057
Property Insights of RefChem:869057
The XLogP value of 4.3 indicates that RefChem:869057 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:869057. Following Lipinski's Rule of Five, RefChem:869057 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:869057?
The CAS number of RefChem:869057 is 67874-56-0.
What is the molecular formula of RefChem:869057?
The molecular formula of RefChem:869057 is C18H17BrClN5O3.
What is the molecular weight of RefChem:869057?
The molecular weight of RefChem:869057 is 465.02032 g/mol.
Where can I buy RefChem:869057?
You can request a quote for RefChem:869057 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:869057?
Yes, CoreyChem provides custom synthesis services for RefChem:869057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.