C.I. Direct Blue 149
TL;DR: C.I. Direct Blue 149 (CAS 5905-21-5) is a chemical compound with molecular formula C42H26N6Na4O14S2 and molecular weight 994.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;(3Z)-3-[[4-[(2E)-2-[6-(4-benzamidoanilino)-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]-3-(carboxylatomethoxy)-7-sulfonatonaphthalen-1-yl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate
Also Known As: C.I. Direct Blue 149, Benzoic acid, 5-[[4-[[6-[[4-(benzoylamino)phenyl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-3-(carboxymethoxy)-7-sulfo-1-naphthalenyl]azo]-2-hydroxy-, tetrasodium salt, 7-(4-(Benzoylamino)phenylamino)-3-((4-((3-carboxy-4-hydroxyphenyl)azo)-2-carboxymethoxy-6-sulfonaphth-1-yl)azo)-4-hydroxy-2-naphthalenesulfonic acid, tetrasodium salt, Benzoic acid, 5-((4-((6-((4-(benzoylamino)phenyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-3-(carboxymethoxy)-7-sulfo-1-naphthalenyl)azo)-2-hydroxy-, tetrasodium salt, Benzoic acid, 5-(2-(4-(2-(6-((4-(benzoylamino)phenyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-3-(carboxymethoxy)-7-sulfo-1-naphthalenyl)diazenyl)-2-hydroxy-, sodium salt (1:4)
| Molecular Formula | C42H26N6Na4O14S2 |
|---|---|
| Molecular Weight | 994.05 g/mol |
| LogP | -9.9819 |
| Topological Polar Surface Area | 327.94 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 14 |
| Exact Mass | 994.0539 |
| Heavy Atoms | 68 |
| Complexity | 3238.5745 |
Chemical Identifiers
| CAS Number | 5905-21-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC3=CC4=C(C=C3)C(=O)/C(=N\NC5=C(C=C(C6=C5C=CC(=C6)S(=O)(=O)[O-])N/N=C\7/C=CC(=O)C(=C7)C(=O)[O-])OCC(=O)[O-])/C(=C4)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
Product Overview
C.I. Direct Blue 149 (CAS 5905-21-5), with molecular formula C42H26N6Na4O14S2 and molecular weight 994.05 g/mol. IUPAC: tetrasodium;(3Z)-3-[[4-[(2E)-2-[6-(4-benzamidoanilino)-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]-3-(carboxylatomethoxy)-7-sulfonatonaphthalen-1-yl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate.
Chemical Property Profile of C.I. Direct Blue 149
Property Insights of C.I. Direct Blue 149
The XLogP value of -9.9819 indicates that C.I. Direct Blue 149 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 327.94 Ų indicates high polarity, suggesting C.I. Direct Blue 149 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Direct Blue 149 has 4 hydrogen bond donor(s) and 19 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 Blue 149?
The CAS number of C.I. Direct Blue 149 is 5905-21-5.
What is the molecular formula of C.I. Direct Blue 149?
The molecular formula of C.I. Direct Blue 149 is C42H26N6Na4O14S2.
What is the molecular weight of C.I. Direct Blue 149?
The molecular weight of C.I. Direct Blue 149 is 994.05 g/mol.
Where can I buy C.I. Direct Blue 149?
You can request a quote for C.I. Direct Blue 149 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 Blue 149?
Yes, KEHONG BIO provides custom synthesis services for C.I. Direct Blue 149 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.