CAS RN: 16886-10-5
3-BENZYLINDOLE
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.20251012 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS16886-10-5
- Purity/Analytical Methods: >99.0%
16886-10-5 / 3-benzyl-1H-indole
Basic Information
CAS
16886-10-5
Multi CAS
No
Molecular Formula
C15H13N
Molecular Weight
207.270000
Exact Mass
207.104799
SMILES
C1=CC=C(C=C1)CC2=CNC3=CC=CC=C32
InChI
InChI=1S/C15H13N/c1-2-6-12(7-3-1)10-13-11-16-15-9-5-4-8-14(13)15/h1-9,11,16H,10H2
InChIKey
HNUYRDWMYRCVNO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond donors
1
Molar refractivity
67.55
TPSA
15.79
LogP / Solubility
WLOGP
3.76
MLOGP
3.31
XLogP3
4.2
Consensus LogP
3.76
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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