CAS RN: 89106-94-5
Solvent Red 179
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250101 | 25g / 100g / 500g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS89106-94-5
- Purity/Analytical Methods: >99.0%
89106-94-5 / 2,14-diazahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1(22),4,6,8(24),9,11,13,15,17,19(23),20-undecaen-3-one
Basic Information
CAS
89106-94-5
Multi CAS
Yes
Molecular Formula
C22H12N2O
Molecular Weight
320.300000
Exact Mass
320.094963
InChI
InChI=1S/C12H26N4O2/c13-11(17)15-9-7-5-3-1-2-4-6-8-10-16-12(14)18/h1-10H2,(H3,13,15,17)(H3,14,16,18)
InChIKey
MOUJWRXYUCHBOI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
24
H-bond acceptors
3
Molar refractivity
102.67
TPSA
34.37
LogP / Solubility
WLOGP
4.75
MLOGP
4.19
XLogP3
4.7
Consensus LogP
4.55
Log S (ESOL)
-5.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.68
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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