RefChem:88609
TL;DR: RefChem:88609 (CAS 948-60-7) is a chemical compound with molecular formula C35H24N6Na2O11S3 and molecular weight 846.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;8-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]-5-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]naphthalene-2-sulfonate
Also Known As: 2-Naphthalenesulfonic acid, 8-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)-5-((4-((4-nitro-2-sulfophenyl)amino)phenyl)azo)-, disodium salt, 2-Naphthalenesulfonic acid, 8-(2-(4-(((4-methylphenyl)sulfonyl)oxy)phenyl)diazenyl)-5-(2-(4-((4-nitro-2-sulfophenyl)amino)phenyl)diazenyl)-, sodium salt (1:2), disodium 8-[(e)-(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]-5-[(e)-{4-[(4-nitro-2-sulfonatophenyl)amino]phenyl}diazenyl]naphthalene-2-sulfonate, Naphthalene-2-sulfonic acid, 8-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)-5-((4-((4-nitro-2-sulfophenyl)amino)phenyl)azo)-, disodium salt, 2-Naphthalenesulfonic acid, 8-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo]-5-[[4-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]-, disodium salt
| Molecular Formula | C35H24N6Na2O11S3 |
|---|---|
| Molecular Weight | 846.05 g/mol |
| LogP | 2.21472 |
| Topological Polar Surface Area | 290.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 9 |
| Exact Mass | 846.0461 |
| Heavy Atoms | 57 |
| Complexity | 1660.0 |
Chemical Identifiers
| CAS Number | 948-60-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=C4C=C(C=CC4=C(C=C3)N=NC5=CC=C(C=C5)NC6=C(C=C(C=C6)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | BXMJSZZPKAWJHR-UHFFFAOYSA-L |
Product Overview
RefChem:88609 (CAS 948-60-7), with molecular formula C35H24N6Na2O11S3 and molecular weight 846.05 g/mol. IUPAC: disodium;8-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]-5-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]naphthalene-2-sulfonate.
Chemical Property Profile of RefChem:88609
Property Insights of RefChem:88609
The XLogP value of 2.21472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:88609. The TPSA of 290.0 Ų indicates high polarity, suggesting RefChem:88609 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:88609 has 1 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:88609?
The CAS number of RefChem:88609 is 948-60-7.
What is the molecular formula of RefChem:88609?
The molecular formula of RefChem:88609 is C35H24N6Na2O11S3.
What is the molecular weight of RefChem:88609?
The molecular weight of RefChem:88609 is 846.05 g/mol.
Where can I buy RefChem:88609?
You can request a quote for RefChem:88609 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:88609?
Yes, KEHONG BIO provides custom synthesis services for RefChem:88609 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.