CAS RN: 8004-99-7
Acid Blue 20
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.20260124 | 5g | In stock | Shanghai | Inquiry |
- Product code: ICTA0606
8004-99-7 / 7-N,8-N,5-triphenylphenazin-5-ium-2,3,7,8-tetramine chloride
Basic Information
CAS
8004-99-7
Multi CAS
No
Molecular Formula
C30H25CLN6
Molecular Weight
505.000000
Exact Mass
504.182923
InChI
InChI=1S/C30H24N6.ClH/c31-23-16-27-29(17-24(23)32)36(22-14-8-3-9-15-22)30-19-26(34-21-12-6-2-7-13-21)25(18-28(30)35-27)33-20-10-4-1-5-11-20;/h1-19H,(H5,31,32,33,34,35);1H
InChIKey
ZMWAXVAETNTVAT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
32
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
4
Molar refractivity
149.06
TPSA
92.87
LogP / Solubility
WLOGP
3.32
MLOGP
2.96
XLogP3
3.32
Consensus LogP
3.2
Log S (ESOL)
-5.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.3
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
