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CAS 887-76-3 1-Diazo-2-naphthol-4-sulfonic Acid molecular structure lightbox
CAS RN: 887-76-3

1-Diazo-2-naphthol-4-sulfonic Acid

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9 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250828 100g In stock Inquiry
Batchno.20260221 250g In stock Inquiry
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Batchno.20260319 500g Out of stock Inquiry
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Batchno.20250908 100g In stock Shanghai, Shandong Inquiry
Batchno.20250329 25g In stock Guangdong Inquiry
Batchno.20250907 500g In stock Shandong Inquiry
Batchno.20260515 5g In stock Shandong, Guangdong Inquiry
  • Product code: ICTD1674
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887-76-3 / 4-diazonio-3-hydroxynaphthalene-1-sulfonate

Standard CAS: 887-76-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
887-76-3
Multi CAS
Yes
Molecular Formula
C10H6N2O4S
Molecular Weight
250.230000
Exact Mass
250.004828
InChI
InChI=1S/C10H6N2O4S/c11-12-10-7-4-2-1-3-6(7)9(5-8(10)13)17(14,15)16/h1-5H,(H-,13,14,15,16)
InChIKey
QHIBNGIZPPHJAT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
58.32
TPSA
105.58

LogP / Solubility

WLOGP
1.93
MLOGP
1.71
XLogP3
2.7
Consensus LogP
2.11
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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