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CAS 2580-78-1 REACTIVE BLUE 19 molecular structure lightbox
CAS RN: 2580-78-1

REACTIVE BLUE 19

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250106 100g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260329 1kg In stock Shanghai Inquiry
Batchno.20251222 25g In stock Shanghai, Tianjin Inquiry
Batchno.20260325 500g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251109 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: starshine_CAS2580-78-1
  • Purity/Analytical Methods: >99.0%
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2580-78-1 / disodium;1-amino-9,10-dioxo-4-[3-(2-sulfonatooxyethylsulfonyl)anilino]anthracene-2-sulfonate

Standard CAS: 2580-78-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2580-78-1
Multi CAS
No
Molecular Formula
C22H16N2Na2O11S3
Molecular Weight
626.500000
Exact Mass
625.971161
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=CC=C4)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]
InChI
InChI=1S/C22H18N2O11S3.2Na/c23-20-17(37(29,30)31)11-16(18-19(20)22(26)15-7-2-1-6-14(15)21(18)25)24-12-4-3-5-13(10-12)36(27,28)9-8-35-38(32,33)34;;/h1-7,10-11,24H,8-9,23H2,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2
InChIKey
KUIXZSYWBHSYCN-UHFFFAOYSA-L

Physical Properties

Melting Point
Decomposes at approximately 581 °F (NTP, 1992)
Physical Description
Reactive blue 19 is a fine blue-black powder. (NTP, 1992) Blue-black solid; [CAMEO] Dark powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
18
Fraction Csp3
0.09
Rotatable bonds
8
H-bond acceptors
13
H-bond donors
2
Molar refractivity
129.55
TPSA
229.96

LogP / Solubility

WLOGP
-5.05
MLOGP
-4.39
XLogP3
-5.05
Consensus LogP
-4.83
Log S (ESOL)
-0.35
Class (ESOL)
Very soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.5
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-10.13

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
4.5

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