C.I. Direct Orange 31, disodium salt
TL;DR: C.I. Direct Orange 31, disodium salt (CAS 6420-03-7) is a chemical compound with molecular formula C31H26N6O7S and molecular weight 626.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-5-[[2-methyl-4-[3-methyl-4-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]phenyl]diazenyl]benzoic acid
Also Known As: C.I. Direct Orange 31, disodium salt, C.I. Direct Orange 31, (Disodium salt), C.I. 23655, 2-Hydroxy-5-[[2-methyl-4-[3-methyl-4-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]phenyl]diazenyl]benzoic acid, (3E)-3-[[2-methyl-4-[3-methyl-4-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid
| Molecular Formula | C31H26N6O7S |
|---|---|
| Molecular Weight | 626.16 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 626.1584 |
| Heavy Atoms | 45 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 6420-03-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O)C)N=NC4C(=NN(C4=O)C5=CC=C(C=C5)S(=O)(=O)O)C |
| InChIKey | MKPMKGJHFHXYGK-UHFFFAOYSA-N |
Product Overview
C.I. Direct Orange 31, disodium salt (CAS 6420-03-7), with molecular formula C31H26N6O7S and molecular weight 626.16 g/mol. IUPAC: 2-hydroxy-5-[[2-methyl-4-[3-methyl-4-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]phenyl]diazenyl]benzoic acid.
Chemical Property Profile of C.I. Direct Orange 31, disodium salt
Property Insights of C.I. Direct Orange 31, disodium salt
The XLogP value of 5.9 indicates that C.I. Direct Orange 31, disodium salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 202.0 Ų indicates high polarity, suggesting C.I. Direct Orange 31, disodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Direct Orange 31, disodium salt has 3 hydrogen bond donor(s) and 12 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. Direct Orange 31, disodium salt?
The CAS number of C.I. Direct Orange 31, disodium salt is 6420-03-7.
What is the molecular formula of C.I. Direct Orange 31, disodium salt?
The molecular formula of C.I. Direct Orange 31, disodium salt is C31H26N6O7S.
What is the molecular weight of C.I. Direct Orange 31, disodium salt?
The molecular weight of C.I. Direct Orange 31, disodium salt is 626.16 g/mol.
Where can I buy C.I. Direct Orange 31, disodium salt?
You can request a quote for C.I. Direct Orange 31, disodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C.I. Direct Orange 31, disodium salt?
Yes, KEHONG BIO provides custom synthesis services for C.I. Direct Orange 31, disodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.