RefChem:869058
TL;DR: RefChem:869058 (CAS 65086-47-7) is a chemical compound with molecular formula C18H18ClN5O3 and molecular weight 387.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]propanenitrile
Also Known As: Propanenitrile, 3-[[4-[(2-chloro-4-nitrophenyl)azo]-3-methylphenyl](2-hydroxyethyl)amino]-, Propionitrile, 3-(4-((2-chloro-4-nitrophenyl)azo)-N-(2-hydroxyethyl)-m-toluidino)-, 3-[[4-[ azo]-3-methylphenyl] amino]propiononitrile, 3-((4-((2-Chloro-4-nitrophenyl)azo)-3-methylphenyl)(2-hydroxyethyl)amino)propanenitrile, 4-(2-Chloro-4-nitrophenylazo)-3-methyl-N-(beta-cyanoethyl)-N-(beta-hydroxyethyl)aniline
| Molecular Formula | C18H18ClN5O3 |
|---|---|
| Molecular Weight | 387.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 387.1098 |
| Heavy Atoms | 27 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 65086-47-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCC#N)CCO)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl |
| InChIKey | QDBJRXJHWACKOF-UHFFFAOYSA-N |
Product Overview
RefChem:869058 (CAS 65086-47-7), with molecular formula C18H18ClN5O3 and molecular weight 387.11 g/mol. IUPAC: 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]propanenitrile.
Chemical Property Profile of RefChem:869058
Property Insights of RefChem:869058
The XLogP value of 3.6 indicates that RefChem:869058 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:869058. Following Lipinski's Rule of Five, RefChem:869058 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
Frequently Asked Questions
What is the CAS number of RefChem:869058?
The CAS number of RefChem:869058 is 65086-47-7.
What is the molecular formula of RefChem:869058?
The molecular formula of RefChem:869058 is C18H18ClN5O3.
What is the molecular weight of RefChem:869058?
The molecular weight of RefChem:869058 is 387.11 g/mol.
Where can I buy RefChem:869058?
You can request a quote for RefChem:869058 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:869058?
Yes, KEHONG BIO provides custom synthesis services for RefChem:869058 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.