CAS RN: 6786-83-0
Solvent Blue 4
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250418 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS6786-83-0
- Purity/Analytical Methods: >99.0%
6786-83-0 / (4-anilinonaphthalen-1-yl)-bis[4-(dimethylamino)phenyl]methanol
Basic Information
CAS
6786-83-0
Multi CAS
Yes
Molecular Formula
C33H33N3O
Molecular Weight
487.600000
Exact Mass
487.262363
InChI
InChI=1S/C33H33N3O/c1-35(2)27-18-14-24(15-19-27)33(37,25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26/h5-23,34,37H,1-4H3
InChIKey
WNDULEJVCPEASN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
28
Fraction Csp3
0.15
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
157.31
TPSA
38.74
LogP / Solubility
WLOGP
7
MLOGP
6.19
XLogP3
7.3
Consensus LogP
6.83
Log S (ESOL)
-7.37
Class (ESOL)
Insoluble
Log S (Ali)
-8.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.48
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.72
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
5
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