CAS RN: 5030-91-1
3,3′-(ethane-1,1-diyl)bis(1H-indole)
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.20251029 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS5030-91-1
- Purity/Analytical Methods: >99.0%
5030-91-1 / 3-[1-(1H-indol-3-yl)ethyl]-1H-indole
Basic Information
CAS
5030-91-1
Multi CAS
No
Molecular Formula
C18H16N2
Molecular Weight
260.300000
Exact Mass
260.131349
InChI
InChI=1S/C18H16N2/c1-12(15-10-19-17-8-4-2-6-13(15)17)16-11-20-18-9-5-3-7-14(16)18/h2-12,19-20H,1H3
InChIKey
WOJBBIJJRKFKOJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
18
Fraction Csp3
0.11
Rotatable bonds
2
H-bond donors
2
Molar refractivity
84.11
TPSA
31.58
LogP / Solubility
WLOGP
4.8
MLOGP
4.23
XLogP3
4.4
Consensus LogP
4.48
Log S (ESOL)
-5.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
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)
-0.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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