CAS RN: 40913-43-7
1-ETHYL-1H-INDOLE-2-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.20250804 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS40913-43-7
- Purity/Analytical Methods: >99.0%
40913-43-7 / 1-ethylindole-2-carbaldehyde
Basic Information
CAS
40913-43-7
Multi CAS
No
Molecular Formula
C11H11NO
Molecular Weight
173.210000
Exact Mass
173.084064
InChI
InChI=1S/C11H11NO/c1-2-12-10(8-13)7-9-5-3-4-6-11(9)12/h3-8H,2H2,1H3
InChIKey
RSPBMMVLDZQYKH-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
2.1
Consensus LogP
2.25
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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- CAS RN: 40914-13-4
- Product Code: starshine_CAS40914-13-4
- Purity/Analytical method: >99.0%
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