CAS RN: 36098-33-6
F16
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250117 | 10mg / 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS36098-33-6
- Purity/Analytical Methods: >99.0%
36098-33-6 / 3-[2-(1-methyl-4-pyridinylidene)ethylidene]indole;hydroiodide
Basic Information
CAS
36098-33-6
Multi CAS
Yes
Molecular Formula
C16H15In2
Molecular Weight
362.210000
Exact Mass
362.028000
InChI
InChI=1S/C16H14N2.HI/c1-18-10-8-13(9-11-18)6-7-14-12-17-16-5-3-2-4-15(14)16;/h2-12H,1H3;1H
InChIKey
UURAKYSOOXPORG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.06
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
92.11
TPSA
15.6
LogP / Solubility
WLOGP
4.3
MLOGP
3.81
XLogP3
4.3
Consensus LogP
4.14
Log S (ESOL)
-4.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.71
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.87
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
1.5
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