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CAS 1324-80-7 Acid Blue 119 molecular structure lightbox
CAS RN: 1324-80-7

Acid Blue 119

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250924 1g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250215 10g / 50g / 250g / 1kg Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei 5-7 business days Inquiry
  • Product code: SSC-039314
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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: 100g
  • 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 1324-80-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Beijing Inquiry

1324-80-7 / sodium 2-[4-[bis(4-anilinophenyl)-hydroxymethyl]anilino]benzenesulfonate

Standard CAS: 1324-80-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1324-80-7
Multi CAS
No
Molecular Formula
C37H30N3NaO4S
Molecular Weight
635.700000
Exact Mass
635.185472
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)C(C3=CC=C(C=C3)NC4=CC=CC=C4)(C5=CC=C(C=C5)NC6=CC=CC=C6S(=O)(=O)[O-])O.[Na+]
InChI
InChI=1S/C37H31N3O4S.Na/c41-37(27-15-21-32(22-16-27)38-30-9-3-1-4-10-30,28-17-23-33(24-18-28)39-31-11-5-2-6-12-31)29-19-25-34(26-20-29)40-35-13-7-8-14-36(35)45(42,43)44;/h1-26,38-41H,(H,42,43,44);/q;+1/p-1
InChIKey
BPCZPTGXEYXQRS-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
36
Fraction Csp3
0.03
Rotatable bonds
10
H-bond acceptors
7
H-bond donors
4
Molar refractivity
178.56
TPSA
113.52

LogP / Solubility

WLOGP
5.11
MLOGP
4.55
XLogP3
5.11
Consensus LogP
4.92
Log S (ESOL)
-6.92
Class (ESOL)
Insoluble
Log S (Ali)
-8.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.23
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-2.97

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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