RefChem:76461
TL;DR: RefChem:76461 (CAS 67969-94-2) is a chemical compound with molecular formula C20H13ClN4O6S2 and molecular weight 504.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4,8-disulfonaphthalen-2-yl)diazenyl]naphthalene-1-diazonium chloride
Also Known As: 4-[ azo]naphthalene-1-diazoniumchloride, 1-Naphthalenediazonium, 4-((4,8-disulfo-2-naphthalenyl)azo)-, chloride, 1-Naphthalenediazonium, 4-(2-(4,8-disulfo-2-naphthalenyl)diazenyl)-, chloride (1:1), 4-((4,8-Disulpho-2-naphthyl)azo)naphthalene-1-diazonium chloride, 1-Naphthalenediazonium, 4-[(4,8-disulfo-2-naphthalenyl)azo]-, chloride
| Molecular Formula | C20H13ClN4O6S2 |
|---|---|
| Molecular Weight | 504.00 g/mol |
| LogP | 2.39 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 503.9965 |
| Heavy Atoms | 33 |
| Complexity | 980.0 |
Chemical Identifiers
| CAS Number | 67969-94-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=C2[N+]#N)N=NC3=CC4=C(C=CC=C4S(=O)(=O)O)C(=C3)S(=O)(=O)O.[Cl-] |
| InChIKey | OYOSSMZXVWRWQR-UHFFFAOYSA-N |
Product Overview
RefChem:76461 (CAS 67969-94-2), with molecular formula C20H13ClN4O6S2 and molecular weight 504.00 g/mol. IUPAC: 4-[(4,8-disulfonaphthalen-2-yl)diazenyl]naphthalene-1-diazonium chloride.
Chemical Property Profile of RefChem:76461
Property Insights of RefChem:76461
The XLogP value of 2.39 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:76461. The TPSA of 178.0 Ų indicates high polarity, suggesting RefChem:76461 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:76461 has 2 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 RefChem:76461?
The CAS number of RefChem:76461 is 67969-94-2.
What is the molecular formula of RefChem:76461?
The molecular formula of RefChem:76461 is C20H13ClN4O6S2.
What is the molecular weight of RefChem:76461?
The molecular weight of RefChem:76461 is 504.00 g/mol.
Where can I buy RefChem:76461?
You can request a quote for RefChem:76461 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:76461?
Yes, KEHONG BIO provides custom synthesis services for RefChem:76461 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.