CAS RN: 5280-66-0
Pigment Red 48:4
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250621 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS5280-66-0
- Purity/Analytical Methods: >99.0%
5280-66-0 / 4-[(5-chloro-4-methyl-2-sulfonatophenyl)diazenyl]-3-oxidonaphthalene-2-carboxylate;hydron;manganese(2+)
Basic Information
CAS
5280-66-0
Multi CAS
Yes
Molecular Formula
C18H11CLMNN2O6S
Molecular Weight
473.700000
Exact Mass
472.940678
InChI
InChI=1S/C18H13ClN2O6S/c1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24/h2-8,22H,1H3,(H,23,24)(H,25,26,27)
InChIKey
LZNMMJSXOXXHFD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
1
Molar refractivity
97.16
TPSA
145.11
LogP / Solubility
WLOGP
2.67
MLOGP
2.38
XLogP3
2.67
Consensus LogP
2.57
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.43
Class (SILICOS-IT)
Slightly soluble
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)
-3.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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