![(3E)-3-[[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]hydrazinylidene]-4-oxo-5-(propanoylamino)naphthalene-2,7-disulfonic acid structure](/static/products/1042/104256-91-9.webp)
(3E)-3-[[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]hydrazinylidene]-4-oxo-5-(propanoylamino)naphthalene-2,7-disulfonic acid
TL;DR: (3E)-3-[[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]hydrazinylidene]-4-oxo-5-(propanoylamino)naphthalene-2,7-disulfonic acid (CAS 104256-91-9) is a chemical compound with molecular formula C30H27ClN8O17S5 and molecular weight 965.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4-hydroxy-5-(propanoylamino)naphthalene-2,7-disulfonic acid
Also Known As: (3E)-3-[[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]hydrazinylidene]-4-oxo-5-(propanoylamino)naphthalene-2,7-disulfonic acid, (3Z)-3-[[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]hydrazinylidene]-4-oxo-5-(propanoylamino)naphthalene-2,7-disulfonic acid, 3-[2-[5-[[4-Chloro-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4-hydroxy-5-[(1-oxopropyl)amino]-2,7-naphthalenedisulfonic acid
| Molecular Formula | C30H27ClN8O17S5 |
|---|---|
| Molecular Weight | 965.98 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 440.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 16 |
| Exact Mass | 965.97864 |
| Heavy Atoms | 61 |
| Complexity | 2130.0 |
Chemical Identifiers
| CAS Number | 104256-91-9 |
|---|---|
| SMILES | CCC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C(=C2O)N=NC3=C(C=CC(=C3)NC4=NC(=NC(=N4)NC5=CC(=CC=C5)S(=O)(=O)CCOS(=O)(=O)O)Cl)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | IIGVDMHTKBXOOI-UHFFFAOYSA-N |
Product Overview
(3E)-3-[[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]hydrazinylidene]-4-oxo-5-(propanoylamino)naphthalene-2,7-disulfonic acid (CAS 104256-91-9), with molecular formula C30H27ClN8O17S5 and molecular weight 965.98 g/mol. IUPAC: 3-[[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4-hydroxy-5-(propanoylamino)naphthalene-2,7-disulfonic acid.
Chemical Property Profile of (3E)-3-[[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]hydrazinylidene]-4-oxo-5-(propanoylamino)naphthalene-2,7-disulfonic acid
Property Insights of (3E)-3-[[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]hydrazinylidene]-4-oxo-5-(propanoylamino)naphthalene-2,7-disulfonic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3E)-3-[[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]hydrazinylidene]-4-oxo-5-(propanoylamino)naphthalene-2,7-disulfonic acid. The TPSA of 440.0 Ų indicates high polarity, suggesting (3E)-3-[[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]hydrazinylidene]-4-oxo-5-(propanoylamino)naphthalene-2,7-disulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (3E)-3-[[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]hydrazinylidene]-4-oxo-5-(propanoylamino)naphthalene-2,7-disulfonic acid has 8 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3E)-3-[[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]hydrazinylidene]-4-oxo-5-(propanoylamino)naphthalene-2,7-disulfonic acid?
The CAS number of (3E)-3-[[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]hydrazinylidene]-4-oxo-5-(propanoylamino)naphthalene-2,7-disulfonic acid is 104256-91-9.
What is the molecular formula of (3E)-3-[[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]hydrazinylidene]-4-oxo-5-(propanoylamino)naphthalene-2,7-disulfonic acid?
The molecular formula of (3E)-3-[[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]hydrazinylidene]-4-oxo-5-(propanoylamino)naphthalene-2,7-disulfonic acid is C30H27ClN8O17S5.
What is the molecular weight of (3E)-3-[[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]hydrazinylidene]-4-oxo-5-(propanoylamino)naphthalene-2,7-disulfonic acid?
The molecular weight of (3E)-3-[[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]hydrazinylidene]-4-oxo-5-(propanoylamino)naphthalene-2,7-disulfonic acid is 965.98 g/mol.
Where can I buy (3E)-3-[[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]hydrazinylidene]-4-oxo-5-(propanoylamino)naphthalene-2,7-disulfonic acid?
You can request a quote for (3E)-3-[[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]hydrazinylidene]-4-oxo-5-(propanoylamino)naphthalene-2,7-disulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3E)-3-[[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]hydrazinylidene]-4-oxo-5-(propanoylamino)naphthalene-2,7-disulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for (3E)-3-[[5-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]hydrazinylidene]-4-oxo-5-(propanoylamino)naphthalene-2,7-disulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.