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CAS 75168-11-5 NONYL ACRIDINE ORANGE molecular structure lightbox
CAS RN: 75168-11-5

NONYL ACRIDINE ORANGE

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251228 100mg In stock Shanghai Inquiry
Batchno.20251011 1g Out of stock Inquiry
Batchno.20251208 250mg In stock Shanghai Inquiry
Batchno.20260121 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250214 25mg / 100mg / 250mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS75168-11-5
  • Purity/Analytical Methods: >99.0%
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75168-11-5 / 3-N,3-N,6-N,6-N-tetramethyl-10-nonylacridin-10-ium-3,6-diamine bromide

Standard CAS: 75168-11-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
75168-11-5
Multi CAS
Yes
Molecular Formula
BC26H38Rn3
Molecular Weight
472.500000
Exact Mass
471.224910
InChI
InChI=1S/C26H38N3.BrH/c1-6-7-8-9-10-11-12-17-29-25-19-23(27(2)3)15-13-21(25)18-22-14-16-24(28(4)5)20-26(22)29;/h13-16,18-20H,6-12,17H2,1-5H3;1H/q+1;/p-1
InChIKey
DRBHTUDHPPBMCD-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
14
Fraction Csp3
0.5
Rotatable bonds
10
H-bond acceptors
2
Molar refractivity
128.3
TPSA
10.36

LogP / Solubility

WLOGP
3.17
MLOGP
2.82
XLogP3
3.17
Consensus LogP
3.05
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.56
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.35

Drug-likeness / Medicinal Chemistry

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

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