RefChem:869055
TL;DR: RefChem:869055 (CAS 62331-46-8) is a chemical compound with molecular formula C17H15Cl2N5O3 and molecular weight 407.06 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-(2-hydroxyethyl)anilino]propanenitrile
Also Known As: 3-(4-((2,6-Dichloro-4-nitrophenyl)azo)-N-(2-hydroxyethyl)anilino)propionitrile, Propanenitrile, 3-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl](2-hydroxyethyl)amino]-, Propanenitrile, 3-((4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)(2-hydroxyethyl)amino)-, Propanenitrile, 3-((4-(2-(2,6-dichloro-4-nitrophenyl)diazenyl)phenyl)(2-hydroxyethyl)amino)-, 3-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl](2-hydroxyethyl)amino]propiononitrile
| Molecular Formula | C17H15Cl2N5O3 |
|---|---|
| Molecular Weight | 407.06 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 407.0552 |
| Heavy Atoms | 27 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 62331-46-8 |
|---|---|
| SMILES | C1=CC(=CC=C1N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl)N(CCC#N)CCO |
| InChIKey | PAEXBWVMHCSRCV-UHFFFAOYSA-N |
Product Overview
RefChem:869055 (CAS 62331-46-8), with molecular formula C17H15Cl2N5O3 and molecular weight 407.06 g/mol. IUPAC: 3-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)anilino]propanenitrile.
Chemical Property Profile of RefChem:869055
Property Insights of RefChem:869055
The XLogP value of 3.9 indicates that RefChem:869055 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:869055. Following Lipinski's Rule of Five, RefChem:869055 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:869055?
The CAS number of RefChem:869055 is 62331-46-8.
What is the molecular formula of RefChem:869055?
The molecular formula of RefChem:869055 is C17H15Cl2N5O3.
What is the molecular weight of RefChem:869055?
The molecular weight of RefChem:869055 is 407.06 g/mol.
Where can I buy RefChem:869055?
You can request a quote for RefChem:869055 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:869055?
Yes, KEHONG BIO provides custom synthesis services for RefChem:869055 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.