C.I. Reactive orange 13
TL;DR: C.I. Reactive orange 13 (CAS 77365-26-5) is a chemical compound with molecular formula C24H18ClN7O10S3 and molecular weight 695.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]naphthalene-1,5-disulfonic acid
Also Known As: C.I. Reactive orange 13, 2-((6-((4-Amino-6-chloro-1,3,5-triazin-2-yl)methylamino)-1-hydroxy-3-sulpho-2-naphthyl)azo)naphthalene-1,5-disulphonic acid, 1,5-Naphthalenedisulfonic acid, 2-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-, 2-((6-((4-Amino-6-chloro-1,3,5-triazin-2-yl)(methyl)amino)-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl)naphthalene-1,5-disulfonic acid, 2-[2-[6-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-1,5-naphthalenedisulfonic acid
| Molecular Formula | C24H18ClN7O10S3 |
|---|---|
| Molecular Weight | 695.00 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 301.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 7 |
| Exact Mass | 694.9966 |
| Heavy Atoms | 45 |
| Complexity | 1420.0 |
Chemical Identifiers
| CAS Number | 77365-26-5 |
|---|---|
| SMILES | CN(C1=CC2=CC(=C(C(=C2C=C1)O)N=NC3=C(C4=C(C=C3)C(=CC=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C5=NC(=NC(=N5)N)Cl |
| InChIKey | JTQUSZACCUVZLO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C.I. Reactive orange 13 (CAS 77365-26-5), with molecular formula C24H18ClN7O10S3 and molecular weight 695.00 g/mol. IUPAC: 2-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]naphthalene-1,5-disulfonic acid.
Chemical Property Profile of C.I. Reactive orange 13
Property Insights of C.I. Reactive orange 13
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C.I. Reactive orange 13. The TPSA of 301.0 Ų indicates high polarity, suggesting C.I. Reactive orange 13 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Reactive orange 13 has 5 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 C.I. Reactive orange 13?
The CAS number of C.I. Reactive orange 13 is 77365-26-5.
What is the molecular formula of C.I. Reactive orange 13?
The molecular formula of C.I. Reactive orange 13 is C24H18ClN7O10S3.
What is the molecular weight of C.I. Reactive orange 13?
The molecular weight of C.I. Reactive orange 13 is 695.00 g/mol.
Where can I buy C.I. Reactive orange 13?
You can request a quote for C.I. Reactive orange 13 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 13?
Yes, KEHONG BIO provides custom synthesis services for C.I. Reactive orange 13 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.