C.I. reactive orange 78 (free acid)
TL;DR: C.I. reactive orange 78 (free acid) (CAS 68189-39-9) is a chemical compound with molecular formula C20H19N3O11S3 and molecular weight 573.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-acetamido-4-hydroxy-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid
Also Known As: C.I. reactive orange 78 (free acid), 2-Naphthalenesulfonic acid, 7-(acetylamino)-4-hydroxy-3-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-, 2-Naphthalenesulfonic acid, 7-(acetylamino)-4-hydroxy-3-(2-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-, 2-Naphthalenesulfonic acid, 7-(acetylamino)-4-hydroxy-3-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, 2-Naphthalenesulfonic acid, 7-acetylamino-4-hydroxy-3-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-
| Molecular Formula | C20H19N3O11S3 |
|---|---|
| Molecular Weight | 573.02 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 251.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 573.0182 |
| Heavy Atoms | 37 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 68189-39-9 |
|---|---|
| SMILES | CC(=O)NC1=CC2=CC(=C(C(=C2C=C1)O)N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O |
| InChIKey | WUUGKDUMIQMLDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C.I. reactive orange 78 (free acid) (CAS 68189-39-9), with molecular formula C20H19N3O11S3 and molecular weight 573.02 g/mol. IUPAC: 7-acetamido-4-hydroxy-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid.
Chemical Property Profile of C.I. reactive orange 78 (free acid)
Property Insights of C.I. reactive orange 78 (free acid)
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C.I. reactive orange 78 (free acid). The TPSA of 251.0 Ų indicates high polarity, suggesting C.I. reactive orange 78 (free acid) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. reactive orange 78 (free acid) has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C.I. reactive orange 78 (free acid)?
The CAS number of C.I. reactive orange 78 (free acid) is 68189-39-9.
What is the molecular formula of C.I. reactive orange 78 (free acid)?
The molecular formula of C.I. reactive orange 78 (free acid) is C20H19N3O11S3.
What is the molecular weight of C.I. reactive orange 78 (free acid)?
The molecular weight of C.I. reactive orange 78 (free acid) is 573.02 g/mol.
Where can I buy C.I. reactive orange 78 (free acid)?
You can request a quote for C.I. reactive orange 78 (free acid) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C.I. reactive orange 78 (free acid)?
Yes, KEHONG BIO provides custom synthesis services for C.I. reactive orange 78 (free acid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.