CAS RN: 7023-61-2
Pigment Red 48:2
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250731 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS7023-61-2
- Purity/Analytical Methods: >99.0%
7023-61-2 / calcium 2-[(3-carboxy-2-oxidonaphthalen-1-yl)diazenyl]-4-chloro-5-methylbenzenesulfonate
Basic Information
CAS
7023-61-2
Multi CAS
Yes
Molecular Formula
C18H11CACLN2O6S
Molecular Weight
458.900000
Exact Mass
457.965226
InChI
InChI=1S/C18H13ClN2O6S.Ca/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);/q;+2/p-2
InChIKey
KCAQGUXPIKJXTQ-UHFFFAOYSA-L
Physical Properties
Physical Description
Water or Solvent Wet Solid; Dry Powder; Liquid; Liquid, Other Solid; Pellets or Large Crystals; Dry Powder, Liquid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
104.44
TPSA
142.28
LogP / Solubility
WLOGP
3.51
MLOGP
3.12
XLogP3
3.51
Consensus LogP
3.38
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.04
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)
-3.03
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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