CAS RN: 57322-42-6
Alphamine Red R Base
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.20250802 | 200mg | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTA0474
- Purity/Analytical Methods: >90.0%(HPLC)
57322-42-6 / 3-[(4-anilinonaphthalen-1-yl)diazenyl]naphthalene-2,6-disulfonic acid
Basic Information
CAS
57322-42-6
Multi CAS
Yes
Molecular Formula
C26H19N3O6S2
Molecular Weight
533.600000
Exact Mass
533.071528
InChI
InChI=1S/C26H19N3O6S2/c30-36(31,32)20-11-10-17-16-26(37(33,34)35)25(15-18(17)14-20)29-28-24-13-12-23(21-8-4-5-9-22(21)24)27-19-6-2-1-3-7-19/h1-16,27H,(H,30,31,32)(H,33,34,35)
InChIKey
UMZJOYSJYIDKDN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
26
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
3
Molar refractivity
141.43
TPSA
145.49
LogP / Solubility
WLOGP
6.65
MLOGP
5.89
XLogP3
5.2
Consensus LogP
5.91
Log S (ESOL)
-7.46
Class (ESOL)
Insoluble
Log S (Ali)
-8.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.36
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.26
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
