RefChem:869051
TL;DR: RefChem:869051 (CAS 67906-35-8) is a chemical compound with molecular formula C18H17Br2N5O2 and molecular weight 492.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N-ethyl-3-methylanilino]propanenitrile
Also Known As: Propanonitrile, 3-(ethyl(4-((2,6-dibromo-4-nitrophenyl)azo)-3-methylphenyl)amino)-, Propanenitrile, 3-((4-((2,6-dibromo-4-nitrophenyl)azo)-3-methylphenyl)ethylamino)-, Propanenitrile, 3-((4-(2-(2,6-dibromo-4-nitrophenyl)diazenyl)-3-methylphenyl)ethylamino)-, Propanenitrile, 3-[[4-[(2,6-dibromo-4-nitrophenyl)azo]-3-methylphenyl]ethylamino]-, Propanenitrile, 3-[[4-[2-(2,6-dibromo-4-nitrophenyl)diazenyl]-3-methylphenyl]ethylamino]-
| Molecular Formula | C18H17Br2N5O2 |
|---|---|
| Molecular Weight | 492.97 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.97284 |
| Heavy Atoms | 27 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 67906-35-8 |
|---|---|
| SMILES | CCN(CCC#N)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br)C |
| InChIKey | BIWSKVBXJZZFCW-UHFFFAOYSA-N |
Product Overview
RefChem:869051 (CAS 67906-35-8), with molecular formula C18H17Br2N5O2 and molecular weight 492.97 g/mol. IUPAC: 3-[4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N-ethyl-3-methylanilino]propanenitrile.
Chemical Property Profile of RefChem:869051
Property Insights of RefChem:869051
The XLogP value of 5.5 indicates that RefChem:869051 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:869051. Following Lipinski's Rule of Five, RefChem:869051 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:869051?
The CAS number of RefChem:869051 is 67906-35-8.
What is the molecular formula of RefChem:869051?
The molecular formula of RefChem:869051 is C18H17Br2N5O2.
What is the molecular weight of RefChem:869051?
The molecular weight of RefChem:869051 is 492.97 g/mol.
Where can I buy RefChem:869051?
You can request a quote for RefChem:869051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:869051?
Yes, KEHONG BIO provides custom synthesis services for RefChem:869051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.