Orange
TL;DR: Orange (CAS 4608-02-0) is a chemical compound with molecular formula C25H33ClN6O4S2 and molecular weight 580.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(diethylamino)-2-[[4-(dimethylsulfamoyl)phenyl]diazenyl]-N-(2-pyridin-1-ium-1-ylethyl)benzenesulfonamide chloride
Also Known As: Orange, Orange DYE, Tox21_112946, 1-[2-({[5-(diethylamino)-2-{(e)-[4-(dimethylsulfamoyl)phenyl]diazenyl}phenyl]sulfonyl}amino)ethyl]pyridinium chloride, CAS-38051-02-4
| Molecular Formula | C25H33ClN6O4S2 |
|---|---|
| Molecular Weight | 580.17 g/mol |
| LogP | 0.4685 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 580.1693 |
| Heavy Atoms | 38 |
| Complexity | 914.0 |
Chemical Identifiers
| CAS Number | 4608-02-0 |
|---|---|
| SMILES | CCN(CC)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)N(C)C)S(=O)(=O)NCC[N+]3=CC=CC=C3.[Cl-] |
| InChIKey | RZLODSHXMGASGM-UHFFFAOYSA-M |
Product Overview
Orange (CAS 4608-02-0), with molecular formula C25H33ClN6O4S2 and molecular weight 580.17 g/mol. IUPAC: 5-(diethylamino)-2-[[4-(dimethylsulfamoyl)phenyl]diazenyl]-N-(2-pyridin-1-ium-1-ylethyl)benzenesulfonamide chloride.
Chemical Property Profile of Orange
Property Insights of Orange
The XLogP value of 0.4685 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Orange. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Orange. Following Lipinski's Rule of Five, Orange has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Orange?
The CAS number of Orange is 4608-02-0.
What is the molecular formula of Orange?
The molecular formula of Orange is C25H33ClN6O4S2.
What is the molecular weight of Orange?
The molecular weight of Orange is 580.17 g/mol.
Where can I buy Orange?
You can request a quote for Orange directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Orange?
Yes, KEHONG BIO provides custom synthesis services for Orange and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.