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CAS 26381-41-9 BASIC BROWN 16 molecular structure lightbox
CAS RN: 26381-41-9

BASIC BROWN 16

  • Product code: SSC-123841
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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 26381-41-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

26381-41-9 / [8-[(4-aminophenyl)diazenyl]-7-hydroxynaphthalen-2-yl]-trimethylazanium chloride

Standard CAS: 26381-41-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26381-41-9
Multi CAS
No
Molecular Formula
C19H21ClN4O
Molecular Weight
356.800000
Exact Mass
356.140389
SMILES
C[N+](C)(C)C1=CC2=C(C=C1)C=CC(=C2N=NC3=CC=C(C=C3)N)O.[Cl-]
InChI
InChI=1S/C19H20N4O.ClH/c1-23(2,3)16-10-4-13-5-11-18(24)19(17(13)12-16)22-21-15-8-6-14(20)7-9-15;/h4-12H,1-3H3,(H2-,20,21,22,24);1H
InChIKey
UXEAWNJALIUYRH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.16
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
100.21
TPSA
70.97

LogP / Solubility

WLOGP
1.74
MLOGP
1.55
XLogP3
1.74
Consensus LogP
1.68
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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