RefChem:250315
TL;DR: RefChem:250315 (CAS 54888-15-2) is a chemical compound with molecular formula C18H16N6O3 and molecular weight 364.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[2-cyanoethyl(2-hydroxyethyl)amino]phenyl]diazenyl]-5-nitrobenzonitrile
Also Known As: 3-(4-((2-Cyano-4-nitrophenyl)azo)-N-(2-hydroxyethyl)anilino)propionitrile, Benzonitrile, 2-[[4-[(2-cyanoethyl)(2-hydroxyethyl)amino]phenyl]azo]-5-nitro-, Benzonitrile, 2-((4-((2-cyanoethyl)(2-hydroxyethyl)amino)phenyl)azo)-5-nitro-, Benzonitrile, 2-(2-(4-((2-cyanoethyl)(2-hydroxyethyl)amino)phenyl)diazenyl)-5-nitro-, 2-[4-[2-Cyanoethyl(2-hydroxyethyl)amino]phenylazo]-5-nitrobenzonitrile
| Molecular Formula | C18H16N6O3 |
|---|---|
| Molecular Weight | 364.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 364.1284 |
| Heavy Atoms | 27 |
| Complexity | 608.0 |
Chemical Identifiers
| CAS Number | 54888-15-2 |
|---|---|
| SMILES | C1=CC(=CC=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)N(CCC#N)CCO |
| InChIKey | ZIFAGYUEQZRFSQ-UHFFFAOYSA-N |
Product Overview
RefChem:250315 (CAS 54888-15-2), with molecular formula C18H16N6O3 and molecular weight 364.13 g/mol. IUPAC: 2-[[4-[2-cyanoethyl(2-hydroxyethyl)amino]phenyl]diazenyl]-5-nitrobenzonitrile.
Chemical Property Profile of RefChem:250315
Property Insights of RefChem:250315
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:250315. The TPSA of 142.0 Ų indicates high polarity, suggesting RefChem:250315 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:250315 has 1 hydrogen bond donor(s) and 8 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:250315?
The CAS number of RefChem:250315 is 54888-15-2.
What is the molecular formula of RefChem:250315?
The molecular formula of RefChem:250315 is C18H16N6O3.
What is the molecular weight of RefChem:250315?
The molecular weight of RefChem:250315 is 364.13 g/mol.
Where can I buy RefChem:250315?
You can request a quote for RefChem:250315 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:250315?
Yes, KEHONG BIO provides custom synthesis services for RefChem:250315 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.