RefChem:869061
TL;DR: RefChem:869061 (CAS 6657-33-6) is a chemical compound with molecular formula C17H16ClN5O3 and molecular weight 373.09 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)anilino]propanenitrile
Also Known As: Propanenitrile, 3-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl](2-hydroxyethyl)amino]-, Aniline, 4-((4-nitro-2-chlorophenyl)azo)-N-hydroxyethyl-N-cyanoethyl, CHLORONITROPHENYLAZOHYDROXYETHYLANILINOPROPANENI, Benzenamine, 4-(((2-chloro-4-nitro)phenyl)azo)-N-(2-cyanoethyl)-N-(2-hydroxyethyl)-, Propanenitrile, 3-((4-((2-chloro-4-nitrophenyl)azo)phenyl)(2-hydroxyethyl)amino)-
| Molecular Formula | C17H16ClN5O3 |
|---|---|
| Molecular Weight | 373.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 373.09418 |
| Heavy Atoms | 26 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 6657-33-6 |
|---|---|
| SMILES | C1=CC(=CC=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)N(CCC#N)CCO |
| InChIKey | UHWBGWWOTKVSDD-UHFFFAOYSA-N |
Product Overview
RefChem:869061 (CAS 6657-33-6), with molecular formula C17H16ClN5O3 and molecular weight 373.09 g/mol. IUPAC: 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)anilino]propanenitrile.
Chemical Property Profile of RefChem:869061
Property Insights of RefChem:869061
The XLogP value of 3.3 indicates that RefChem:869061 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:869061. Following Lipinski's Rule of Five, RefChem:869061 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:869061?
The CAS number of RefChem:869061 is 6657-33-6.
What is the molecular formula of RefChem:869061?
The molecular formula of RefChem:869061 is C17H16ClN5O3.
What is the molecular weight of RefChem:869061?
The molecular weight of RefChem:869061 is 373.09 g/mol.
Where can I buy RefChem:869061?
You can request a quote for RefChem:869061 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:869061?
Yes, KEHONG BIO provides custom synthesis services for RefChem:869061 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.