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CAS 6410-30-6 Pigment Red 8 molecular structure lightbox
CAS RN: 6410-30-6

Pigment Red 8

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260116 1g / 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Hebei Inquiry
  • Product code: starshine_CAS6410-30-6
  • Purity/Analytical Methods: >99.0%
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6410-30-6 / N-(4-chlorophenyl)-3-hydroxy-4-[(2-methyl-5-nitrophenyl)diazenyl]naphthalene-2-carboxamide

Standard CAS: 6410-30-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6410-30-6
Multi CAS
No
Molecular Formula
C24H17CLN4O4
Molecular Weight
460.900000
Exact Mass
460.093833
InChI
InChI=1S/C24H17ClN4O4/c1-14-6-11-18(29(32)33)13-21(14)27-28-22-19-5-3-2-4-15(19)12-20(23(22)30)24(31)26-17-9-7-16(25)8-10-17/h2-13,30H,1H3,(H,26,31)
InChIKey
ITHKKUPWEBSLAJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
22
Fraction Csp3
0.04
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
127.03
TPSA
117.19

LogP / Solubility

WLOGP
7.08
MLOGP
6.26
XLogP3
6.8
Consensus LogP
6.71
Log S (ESOL)
-7.32
Class (ESOL)
Insoluble
Log S (Ali)
-8.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.13
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.5

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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