![(2-{[3-methyl-4-(2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl)phenyl][2-(sulfooxy)ethyl]amino}ethoxy)sulfonic acid structure](/static/products/7511/75113-51-8.webp)
(2-{[3-methyl-4-(2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl)phenyl][2-(sulfooxy)ethyl]amino}ethoxy)sulfonic acid
TL;DR: (2-{[3-methyl-4-(2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl)phenyl][2-(sulfooxy)ethyl]amino}ethoxy)sulfonic acid (CAS 75113-51-8) is a chemical compound with molecular formula C19H25N3O14S4 and molecular weight 647.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[[4-[bis(2-sulfooxyethyl)amino]-2-methylphenyl]diazenyl]phenyl]sulfonylethyl hydrogen sulfate
Also Known As: (2-{[3-methyl-4-(2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl)phenyl][2-(sulfooxy)ethyl]amino}ethoxy)sulfonic acid, {[3-Methyl-4-({4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazenyl)phenyl]azanediyl}di(ethane-2,1-diyl) bis(hydrogen sulfate), 2,2 -[[3-Methyl-4-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]phenyl]imino]diethanol bis(hydrogen sulfate), 2,2'-[[3-Methyl-4-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]phenyl]imino]diethanol bis(hydrogen sulfate), 2-({4-[(e)-(4-{bis[2-(sulfooxy)ethyl]amino}-2-methylphenyl)diazenyl]phenyl}sulfonyl)ethyl hydrogen sulfate
| Molecular Formula | C19H25N3O14S4 |
|---|---|
| Molecular Weight | 647.02 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 286.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 16 |
| Exact Mass | 647.0219 |
| Heavy Atoms | 40 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 75113-51-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCOS(=O)(=O)O)CCOS(=O)(=O)O)N=NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O |
| InChIKey | SVCGZQKPYPLPLT-UHFFFAOYSA-N |
Product Overview
(2-{[3-methyl-4-(2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl)phenyl][2-(sulfooxy)ethyl]amino}ethoxy)sulfonic acid (CAS 75113-51-8), with molecular formula C19H25N3O14S4 and molecular weight 647.02 g/mol. IUPAC: 2-[4-[[4-[bis(2-sulfooxyethyl)amino]-2-methylphenyl]diazenyl]phenyl]sulfonylethyl hydrogen sulfate.
Chemical Property Profile of (2-{[3-methyl-4-(2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl)phenyl][2-(sulfooxy)ethyl]amino}ethoxy)sulfonic acid
Property Insights of (2-{[3-methyl-4-(2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl)phenyl][2-(sulfooxy)ethyl]amino}ethoxy)sulfonic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-{[3-methyl-4-(2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl)phenyl][2-(sulfooxy)ethyl]amino}ethoxy)sulfonic acid. The TPSA of 286.0 Ų indicates high polarity, suggesting (2-{[3-methyl-4-(2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl)phenyl][2-(sulfooxy)ethyl]amino}ethoxy)sulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2-{[3-methyl-4-(2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl)phenyl][2-(sulfooxy)ethyl]amino}ethoxy)sulfonic acid has 3 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2-{[3-methyl-4-(2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl)phenyl][2-(sulfooxy)ethyl]amino}ethoxy)sulfonic acid?
The CAS number of (2-{[3-methyl-4-(2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl)phenyl][2-(sulfooxy)ethyl]amino}ethoxy)sulfonic acid is 75113-51-8.
What is the molecular formula of (2-{[3-methyl-4-(2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl)phenyl][2-(sulfooxy)ethyl]amino}ethoxy)sulfonic acid?
The molecular formula of (2-{[3-methyl-4-(2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl)phenyl][2-(sulfooxy)ethyl]amino}ethoxy)sulfonic acid is C19H25N3O14S4.
What is the molecular weight of (2-{[3-methyl-4-(2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl)phenyl][2-(sulfooxy)ethyl]amino}ethoxy)sulfonic acid?
The molecular weight of (2-{[3-methyl-4-(2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl)phenyl][2-(sulfooxy)ethyl]amino}ethoxy)sulfonic acid is 647.02 g/mol.
Where can I buy (2-{[3-methyl-4-(2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl)phenyl][2-(sulfooxy)ethyl]amino}ethoxy)sulfonic acid?
You can request a quote for (2-{[3-methyl-4-(2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl)phenyl][2-(sulfooxy)ethyl]amino}ethoxy)sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-{[3-methyl-4-(2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl)phenyl][2-(sulfooxy)ethyl]amino}ethoxy)sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-{[3-methyl-4-(2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl)phenyl][2-(sulfooxy)ethyl]amino}ethoxy)sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.