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CAS 165660-27-5 HYDROXY NAPHTHOL BLUE molecular structure lightbox
CAS RN: 165660-27-5

HYDROXY NAPHTHOL BLUE

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250101 100g In stock Shanghai, Shandong Inquiry
Batchno.20251019 25g Out of stock Inquiry
Batchno.20250112 25g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250116 500g In stock Shandong Inquiry
Batchno.20251013 5g In stock Inquiry
Batchno.20260531 5g In stock Shanghai, Guangdong, Chongqing, Hebei Inquiry
  • Product code: starshine_CAS165660-27-5
  • Purity/Analytical Methods: >99.0%
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165660-27-5 / disodium;3-hydroxy-4-[(2-hydroxy-4-sulfonatonaphthalen-1-yl)diazenyl]-7-sulfonaphthalene-2-sulfonate

Standard CAS: 165660-27-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
165660-27-5
Multi CAS
No
Molecular Formula
C20H12N2Na2O11S3
Molecular Weight
598.500000
Exact Mass
597.939861
SMILES
C1=CC=C2C(=C1)C(=CC(=C2N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)O)O)S(=O)(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C20H14N2O11S3.2Na/c23-15-9-16(35(28,29)30)13-3-1-2-4-14(13)18(15)21-22-19-12-6-5-11(34(25,26)27)7-10(12)8-17(20(19)24)36(31,32)33;;/h1-9,23-24H,(H,25,26,27)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2
InChIKey
WPDDXLRAJOPBIR-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
20
Rotatable bonds
5
H-bond acceptors
12
H-bond donors
3
Molar refractivity
121.14
TPSA
233.95

LogP / Solubility

WLOGP
-3.12
MLOGP
-2.7
XLogP3
-3.12
Consensus LogP
-2.98
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.56
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)
-8.58

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (95.3%): 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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