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CAS 2610-05-1 CHICAGO SKY BLUE 6B molecular structure lightbox
CAS RN: 2610-05-1

CHICAGO SKY BLUE 6B

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11 package records11 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250630 100g In stock Shandong Inquiry
Batchno.20250930 25g In stock Shanghai, Hebei Inquiry
Batchno.20250627 500g In stock Shanghai, Shandong Inquiry
Batchno.20250420 5g In stock Shanghai, Shandong, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250522 100g In stock Shanghai Inquiry
Batchno.20250430 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260314 1mg In stock Shanghai, Wuhan Inquiry
Batchno.20260113 25g In stock Shanghai Inquiry
Batchno.20251024 500g In stock Shanghai Inquiry
Batchno.20250817 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250306 1ml In stock Inquiry
  • Product code: starshine_CAS2610-05-1
  • Purity/Analytical Methods: >99.0%
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2610-05-1 / tetrasodium;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5,7-disulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonate

Standard CAS: 2610-05-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2610-05-1
Multi CAS
No
Molecular Formula
C34H24N6Na4O16S4
Molecular Weight
992.800000
Exact Mass
991.972241
SMILES
COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C3)C(=CC(=C4N)S(=O)(=O)[O-])S(=O)(=O)[O-])O)OC)N=NC5=C(C6=C(C=C5)C(=CC(=C6N)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C34H28N6O16S4.4Na/c1-55-23-11-15(3-7-19(23)37-39-21-9-5-17-25(57(43,44)45)13-27(59(49,50)51)31(35)29(17)33(21)41)16-4-8-20(24(12-16)56-2)38-40-22-10-6-18-26(58(46,47)48)14-28(60(52,53)54)32(36)30(18)34(22)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4
InChIKey
BPHHNXJPFPEJOF-UHFFFAOYSA-J

Physical Properties

Physical Description
Direct blue 1 appears as bright greenish-blue solid or dark blue powder. (NTP, 1992)
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
64
Aromatic heavy atom count
32
Fraction Csp3
0.06
Rotatable bonds
11
H-bond acceptors
22
H-bond donors
4
Molar refractivity
205.24
TPSA
389.2

LogP / Solubility

WLOGP
-7.28
MLOGP
-6.31
XLogP3
-7.28
Consensus LogP
-6.96
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.39
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-13.95

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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