RefChem:417430
TL;DR: RefChem:417430 (CAS 68992-02-9) is a chemical compound with molecular formula C33H18ClN9Na4O12S4 and molecular weight 986.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;3-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonatonaphthalen-1-yl]diazenyl]-7-sulfonatonaphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonate
Also Known As: 1,5-Naphthalenedisulfonic acid, 3-((4-((4-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-5-sulfo-1-naphthalenyl)azo)-7-sulfo-1-naphthalenyl)azo)-, tetrasodium salt, 1,5-Naphthalenedisulfonic acid, 3-(2-(4-(2-(4-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-5-sulfo-1-naphthalenyl)diazenyl)-7-sulfo-1-naphthalenyl)diazenyl)-, sodium salt (1:4), 1,5-Naphthalenedisulfonic acid, 3-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfo-1-naphthalenyl]azo]-7-sulfo-1-naphthalenyl]azo]-, tetrasodium salt, 1,5-Naphthalenedisulfonic acid, 3-[2-[4-[2-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfo-1-naphthalenyl]diazenyl]-7-sulfo-1-naphthalenyl]diazenyl]-, sodium salt (1:4), 1,5-Naphthalenedisulfonicacid,3-[2-[4-[2-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfo-1-naphthalenyl]diazenyl]-7-sulfo-1-naphthalenyl]diazenyl]-,sodium salt (1:4)
| Molecular Formula | C33H18ClN9Na4O12S4 |
|---|---|
| Molecular Weight | 986.92 g/mol |
| LogP | -6.2264 |
| Topological Polar Surface Area | 388.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 6 |
| Exact Mass | 986.9237 |
| Heavy Atoms | 63 |
| Complexity | 1960.0 |
Chemical Identifiers
| CAS Number | 68992-02-9 |
|---|---|
| SMILES | C1=CC2=C(C=CC(=C2C(=C1)S(=O)(=O)[O-])NC3=NC(=NC(=N3)N)Cl)N=NC4=C5C=CC(=CC5=C(C=C4)N=NC6=CC7=C(C=CC=C7S(=O)(=O)[O-])C(=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | ZZMATQLWXCUYFJ-UHFFFAOYSA-J |
Product Overview
RefChem:417430 (CAS 68992-02-9), with molecular formula C33H18ClN9Na4O12S4 and molecular weight 986.92 g/mol. IUPAC: tetrasodium;3-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonatonaphthalen-1-yl]diazenyl]-7-sulfonatonaphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonate.
Chemical Property Profile of RefChem:417430
Property Insights of RefChem:417430
The XLogP value of -6.2264 indicates that RefChem:417430 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 388.0 Ų indicates high polarity, suggesting RefChem:417430 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:417430 has 2 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:417430?
The CAS number of RefChem:417430 is 68992-02-9.
What is the molecular formula of RefChem:417430?
The molecular formula of RefChem:417430 is C33H18ClN9Na4O12S4.
What is the molecular weight of RefChem:417430?
The molecular weight of RefChem:417430 is 986.92 g/mol.
Where can I buy RefChem:417430?
You can request a quote for RefChem:417430 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:417430?
Yes, KEHONG BIO provides custom synthesis services for RefChem:417430 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.