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CAS 4477-79-6 Solvent Red 26 molecular structure lightbox
CAS RN: 4477-79-6

Solvent Red 26

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251119 100g Out of stock Inquiry
Batchno.20260511 1g Out of stock Inquiry
Batchno.20250220 25g Out of stock Inquiry
Batchno.20251126 5g Out of stock Inquiry
  • Product code: starshine_CAS4477-79-6
  • Purity/Analytical Methods: >99.0%
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4477-79-6 / 1-[[2,5-dimethyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-2-ol

Standard CAS: 4477-79-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
4477-79-6
Multi CAS
No
Molecular Formula
C25H22N4O
Molecular Weight
394.500000
Exact Mass
394.179361
InChI
InChI=1S/C25H22N4O/c1-16-8-4-7-11-21(16)26-27-22-14-18(3)23(15-17(22)2)28-29-25-20-10-6-5-9-19(20)12-13-24(25)30/h4-15,30H,1-3H3
InChIKey
NRBKWAQSLYBVSG-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
22
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
121.06
TPSA
69.67

LogP / Solubility

WLOGP
8.3
MLOGP
7.33
XLogP3
7.5
Consensus LogP
7.71
Log S (ESOL)
-7.79
Class (ESOL)
Insoluble
Log S (Ali)
-8.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.59
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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