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CAS 3861-73-2 Acid Blue 92 molecular structure lightbox
CAS RN: 3861-73-2

Acid Blue 92

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250601 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-146244
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 3861-73-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞95% 0 Out of Stock Beijing Inquiry

3861-73-2 / trisodium;4-[(4-anilino-5-sulfonatonaphthalen-1-yl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate

Standard CAS: 3861-73-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3861-73-2
Multi CAS
Yes
Molecular Formula
C26H16N3NA3O10S3
Molecular Weight
695.600000
Exact Mass
694.969090
InChI
InChI=1S/C26H19N3O10S3.3Na/c30-23-14-18(41(34,35)36)12-15-11-17(40(31,32)33)13-22(25(15)23)29-28-20-9-10-21(27-16-5-2-1-3-6-16)26-19(20)7-4-8-24(26)42(37,38)39;;;/h1-14,27,30H,(H,31,32,33)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3
InChIKey
ADGGJQPKBDIZMT-UHFFFAOYSA-K

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
26
Rotatable bonds
7
H-bond acceptors
13
H-bond donors
2
Molar refractivity
147.35
TPSA
228.58

LogP / Solubility

WLOGP
-4.42
MLOGP
-3.83
XLogP3
-4.42
Consensus LogP
-4.22
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.35
Class (SILICOS-IT)
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)
-10.1

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

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