CAS RN: 894852-86-9
1-ethyl-1H-indole-4-carbaldehyde
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.20250525 | 2g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS894852-86-9
- Purity/Analytical Methods: >99.0%
894852-86-9 / 1-ethylindole-4-carbaldehyde
Basic Information
CAS
894852-86-9
Multi CAS
No
Molecular Formula
C11H11NO
Molecular Weight
173.210000
Exact Mass
173.084064
InChI
InChI=1S/C11H11NO/c1-2-12-7-6-10-9(8-13)4-3-5-11(10)12/h3-8H,2H2,1H3
InChIKey
PMESIMZUTFUYSD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
53
TPSA
22
LogP / Solubility
WLOGP
2.47
MLOGP
2.17
XLogP3
1.8
Consensus LogP
2.15
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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