RefChem:869054
TL;DR: RefChem:869054 (CAS 63467-11-8) is a chemical compound with molecular formula C18H17Cl2N5O2 and molecular weight 405.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-3-methylanilino]propanenitrile
Also Known As: 3-(4-((2,6-Dichloro-4-nitrophenyl)azo)-N-ethyl-m-toluidino)propionitrile, 3-((4-((2,6-Dichloro-4-nitrophenyl)azo)-3-methylphenyl)ethylamino)propanenitrile, 3-[[4-[ azo]-3-methylphenyl]ethylamino]propiononitrile, Benzenamine, 4-(((2,6-dichloro-4-nitro)phenyl)azo)-3-methyl-N-(2-cyanoethyl)-N-ethyl-, Propanenitrile, 3-((4-((2,6-dichloro-4-nitrophenyl)azo)-3-methylphenyl)ethylamino)-
| Molecular Formula | C18H17Cl2N5O2 |
|---|---|
| Molecular Weight | 405.08 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.07593 |
| Heavy Atoms | 27 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 63467-11-8 |
|---|---|
| SMILES | CCN(CCC#N)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl)C |
| InChIKey | GXWKYWHBRDHRFJ-UHFFFAOYSA-N |
Product Overview
RefChem:869054 (CAS 63467-11-8), with molecular formula C18H17Cl2N5O2 and molecular weight 405.08 g/mol. IUPAC: 3-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-3-methylanilino]propanenitrile.
Chemical Property Profile of RefChem:869054
Property Insights of RefChem:869054
The XLogP value of 5.3 indicates that RefChem:869054 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:869054. Following Lipinski's Rule of Five, RefChem:869054 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:869054?
The CAS number of RefChem:869054 is 63467-11-8.
What is the molecular formula of RefChem:869054?
The molecular formula of RefChem:869054 is C18H17Cl2N5O2.
What is the molecular weight of RefChem:869054?
The molecular weight of RefChem:869054 is 405.08 g/mol.
Where can I buy RefChem:869054?
You can request a quote for RefChem:869054 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:869054?
Yes, KEHONG BIO provides custom synthesis services for RefChem:869054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.