RefChem:117435
TL;DR: RefChem:117435 (CAS 67846-59-7) is a chemical compound with molecular formula C18H19Cl2N5O4 and molecular weight 439.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-2,5-dimethoxybenzenediazonium;chloride;hydrochloride
Also Known As: Benzenediazonium, 2,5-dimethoxy-4-((2-oxo-1-((phenylamino)carbonyl)propyl)azo)-, chloride, monohydrochloride, Benzenediazonium, 2,5-dimethoxy-4-((N-phenyl-3-oxobutanamid-2-yl)azo)-, chloride, compound with hydrogen chloride, Benzenediazonium, 2,5-dimethoxy-4-(2-(2-oxo-1-((phenylamino)carbonyl)propyl)diazenyl)-, chloride, hydrochloride (1:1:1), 2,5-DIMETHOXY-4-[[2-OXO-1-[(PHENYLAMINO)CARBONYL]PROPYL]AZO]BENZENEDIAZONIUM CHLORIDE MONOHYDROCHLORIDE, Benzenediazonium, 2,5-dimethoxy-4-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]-, chloride, monohydrochloride
| Molecular Formula | C18H19Cl2N5O4 |
|---|---|
| Molecular Weight | 439.08 g/mol |
| LogP | 1.29 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 439.08142 |
| Heavy Atoms | 29 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 67846-59-7 |
|---|---|
| SMILES | CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=CC(=C(C=C2OC)[N+]#N)OC.Cl.[Cl-] |
| InChIKey | BMBZQBZJZSCXNQ-UHFFFAOYSA-N |
Product Overview
RefChem:117435 (CAS 67846-59-7), with molecular formula C18H19Cl2N5O4 and molecular weight 439.08 g/mol. IUPAC: 4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-2,5-dimethoxybenzenediazonium;chloride;hydrochloride.
Chemical Property Profile of RefChem:117435
Property Insights of RefChem:117435
The XLogP value of 1.29 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:117435. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:117435. Following Lipinski's Rule of Five, RefChem:117435 has 2 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:117435?
The CAS number of RefChem:117435 is 67846-59-7.
What is the molecular formula of RefChem:117435?
The molecular formula of RefChem:117435 is C18H19Cl2N5O4.
What is the molecular weight of RefChem:117435?
The molecular weight of RefChem:117435 is 439.08 g/mol.
Where can I buy RefChem:117435?
You can request a quote for RefChem:117435 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117435?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117435 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.