RefChem:117817
TL;DR: RefChem:117817 (CAS 67907-13-5) is a chemical compound with molecular formula C25H19N4NaO8S2 and molecular weight 590.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2-[4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]anilino]-5-nitrobenzenesulfonate
Also Known As: Sodium 2-((4-((4-((p-tolylsulphonyl)oxy)phenyl)azo)phenyl)amino)-5-nitrobenzenesulphonate, Benzenesulfonic acid, 2-((4-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)phenyl)amino)-5-nitro-, monosodium salt, Benzenesulfonic acid, 2-((4-(2-(4-(((4-methylphenyl)sulfonyl)oxy)phenyl)diazenyl)phenyl)amino)-5-nitro-, sodium salt (1:1), Benzenesulfonic acid, 2-[[4-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo]phenyl]amino]-5-nitro-, monosodium salt, Benzenesulfonic acid, 2-[[4-[2-[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]diazenyl]phenyl]amino]-5-nitro-, sodium salt (1:1)
| Molecular Formula | C25H19N4NaO8S2 |
|---|---|
| Molecular Weight | 590.05 g/mol |
| LogP | 2.74 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 590.0542 |
| Heavy Atoms | 40 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 67907-13-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=CC=C(C=C3)NC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)[O-].[Na+] |
| InChIKey | YHJVPXFPBGVPQF-UHFFFAOYSA-M |
Product Overview
RefChem:117817 (CAS 67907-13-5), with molecular formula C25H19N4NaO8S2 and molecular weight 590.05 g/mol. IUPAC: sodium 2-[4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]anilino]-5-nitrobenzenesulfonate.
Chemical Property Profile of RefChem:117817
Property Insights of RefChem:117817
The XLogP value of 2.74 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:117817. The TPSA of 200.0 Ų indicates high polarity, suggesting RefChem:117817 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:117817 has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:117817?
The CAS number of RefChem:117817 is 67907-13-5.
What is the molecular formula of RefChem:117817?
The molecular formula of RefChem:117817 is C25H19N4NaO8S2.
What is the molecular weight of RefChem:117817?
The molecular weight of RefChem:117817 is 590.05 g/mol.
Where can I buy RefChem:117817?
You can request a quote for RefChem:117817 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117817?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117817 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.