C.I. Direct Blue 98
TL;DR: C.I. Direct Blue 98 (CAS 6656-03-7) is a chemical compound with molecular formula C38H20Cu2N5Na3O13S3 and molecular weight 1044.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dicopper;trisodium;7-[[4-[4-[(6-anilino-3-oxido-1-sulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-8-oxidonaphthalene-1,6-disulfonate
Also Known As: C.I. Direct Blue 98, Direct Blue 98, dicopper;trisodium;7-[[4-[4-[(6-anilino-3-oxido-1-sulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-8-oxidonaphthalene-1,6-disulfonate, Cuprate(3-), (mu-(7-((3,3'-di(hydroxy-kappaO)-4'-((1-(hydroxy-kappaO)-6-(phenylamino)-3-sulfo-2-naphthalenyl)azo-kappaN1)(1,1'-biphenyl)-4-yl)azo-kappaN1)-8-(hydroxy-kappaO)-1,6-naphthalenedisulfonato(7-)))di-, trisodium, Cuprate(3-), (mu-(7-((3,3'-dihydroxy-4'-((1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)azo)(1,1'-biphenyl)-4-yl)azo)-8-hydroxy-1,6-naphthalenedisulfonato(7-)))di-, trisodium
| Molecular Formula | C38H20Cu2N5Na3O13S3 |
|---|---|
| Molecular Weight | 1044.85 g/mol |
| LogP | -3.75 |
| Topological Polar Surface Area | 350.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 3 |
| Exact Mass | 1044.8505 |
| Heavy Atoms | 64 |
| Complexity | 1810.0 |
Chemical Identifiers
| CAS Number | 6656-03-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC3=CC(=C(C(=C3C=C2)S(=O)(=O)[O-])N=NC4=C(C=C(C=C4)C5=CC(=C(C=C5)N=NC6=C(C=C7C=CC=C(C7=C6[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])[O-].[Na+].[Na+].[Na+].[Cu+2].[Cu+2] |
| InChIKey | IRWUMMUGRKYWDG-UHFFFAOYSA-G |
Product Overview
C.I. Direct Blue 98 (CAS 6656-03-7), with molecular formula C38H20Cu2N5Na3O13S3 and molecular weight 1044.85 g/mol. IUPAC: dicopper;trisodium;7-[[4-[4-[(6-anilino-3-oxido-1-sulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-8-oxidonaphthalene-1,6-disulfonate.
Chemical Property Profile of C.I. Direct Blue 98
Property Insights of C.I. Direct Blue 98
The XLogP value of -3.75 indicates that C.I. Direct Blue 98 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 350.0 Ų indicates high polarity, suggesting C.I. Direct Blue 98 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Direct Blue 98 has 1 hydrogen bond donor(s) and 18 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 98?
The CAS number of C.I. Direct Blue 98 is 6656-03-7.
What is the molecular formula of C.I. Direct Blue 98?
The molecular formula of C.I. Direct Blue 98 is C38H20Cu2N5Na3O13S3.
What is the molecular weight of C.I. Direct Blue 98?
The molecular weight of C.I. Direct Blue 98 is 1044.85 g/mol.
Where can I buy C.I. Direct Blue 98?
You can request a quote for C.I. Direct Blue 98 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 98?
Yes, KEHONG BIO provides custom synthesis services for C.I. Direct Blue 98 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.