RefChem:70698
TL;DR: RefChem:70698 (CAS 71873-54-6) is a chemical compound with molecular formula C25H27Cl2N5O3 and molecular weight 515.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[[4-(4-chlorophenoxy)phenyl]diazenyl]-3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]propyl-trimethylazanium chloride
Also Known As: EINECS 276-128-8, 1(2H)-Pyridinepropanaminium, 5-((4-(4-chlorophenoxy)phenyl)azo)-3-cyano-6-hydroxy-N,N,N,4-tetramethyl-2-oxo-, chloride, 1(2H)-Pyridinepropanaminium, 5-(2-(4-(4-chlorophenoxy)phenyl)diazenyl)-3-cyano-6-hydroxy-N,N,N,4-tetramethyl-2-oxo-, chloride (1:1), (5-((4-(4-Chlorophenoxy)phenyl)azo)-3-cyano-6-hydroxy-4-methyl-2-oxo-(2H)-pyridine-1-propyl)(trimethyl)ammonium chloride, 1(2H)-Pyridinepropanaminium, 5-[[4-(4-chlorophenoxy)phenyl]azo]-3-cyano-6-hydroxy-N,N,N,4-tetramethyl-2-oxo-, chloride
| Molecular Formula | C25H27Cl2N5O3 |
|---|---|
| Molecular Weight | 515.15 g/mol |
| LogP | 2.6954 |
| Topological Polar Surface Area | 99.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 515.1491 |
| Heavy Atoms | 35 |
| Complexity | 1289.6434 |
Chemical Identifiers
| CAS Number | 71873-54-6 |
|---|---|
| SMILES | CC1=C(C(=O)N(C(=C1C#N)O)CCC[N+](C)(C)C)N=NC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl.[Cl-] |
Product Overview
RefChem:70698 (CAS 71873-54-6), with molecular formula C25H27Cl2N5O3 and molecular weight 515.15 g/mol. IUPAC: 3-[5-[[4-(4-chlorophenoxy)phenyl]diazenyl]-3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]propyl-trimethylazanium chloride.
Chemical Property Profile of RefChem:70698
Property Insights of RefChem:70698
The XLogP value of 2.6954 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:70698. The TPSA of 99.97 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:70698. Following Lipinski's Rule of Five, RefChem:70698 has 1 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:70698?
The CAS number of RefChem:70698 is 71873-54-6.
What is the molecular formula of RefChem:70698?
The molecular formula of RefChem:70698 is C25H27Cl2N5O3.
What is the molecular weight of RefChem:70698?
The molecular weight of RefChem:70698 is 515.15 g/mol.
Where can I buy RefChem:70698?
You can request a quote for RefChem:70698 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:70698?
Yes, KEHONG BIO provides custom synthesis services for RefChem:70698 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.