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CAS 13324-20-4 REACTIVE BLUE 4 molecular structure lightbox
CAS RN: 13324-20-4

REACTIVE BLUE 4

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10 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250419 100g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20251114 1g In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20250116 25g In stock Shanghai, Guangdong, Chongqing Inquiry
Batchno.20250829 500g In stock Shanghai Inquiry
Batchno.20250130 5g In stock Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250422 100g In stock Shanghai Inquiry
Batchno.20250225 1g In stock Shanghai Inquiry
Batchno.20260326 25g In stock Shanghai Inquiry
Batchno.20250803 500g In stock Shanghai Inquiry
Batchno.20250418 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS13324-20-4
  • Purity/Analytical Methods: >99.0%
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13324-20-4 / 1-amino-4-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid

Standard CAS: 13324-20-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13324-20-4
Multi CAS
No
Molecular Formula
C23H14Cl2N6O8S2
Molecular Weight
637.400000
Exact Mass
635.969159
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)S(=O)(=O)O)NC5=NC(=NC(=N5)Cl)Cl)S(=O)(=O)O)N
InChI
InChI=1S/C23H14Cl2N6O8S2/c24-21-29-22(25)31-23(30-21)28-12-7-9(5-6-14(12)40(34,35)36)27-13-8-15(41(37,38)39)18(26)17-16(13)19(32)10-3-1-2-4-11(10)20(17)33/h1-8,27H,26H2,(H,34,35,36)(H,37,38,39)(H,28,29,30,31)
InChIKey
RTLULCVBFCRQKI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
24
Rotatable bonds
6
H-bond acceptors
12
H-bond donors
5
Molar refractivity
146.64
TPSA
231.63

LogP / Solubility

WLOGP
3.52
MLOGP
3.15
XLogP3
4.7
Consensus LogP
3.79
Log S (ESOL)
-6.04
Class (ESOL)
Insoluble
Log S (Ali)
-7.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.44
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.11

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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