CAS RN: 70093-12-8
2-(4-FLUOROPHENYL)-1H-INDOLE-3-CARBOXAL&
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.20250215 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS70093-12-8
- Purity/Analytical Methods: >99.0%
70093-12-8 / 2-(4-fluorophenyl)-1H-indole-3-carbaldehyde
Basic Information
CAS
70093-12-8
Multi CAS
No
Molecular Formula
C15FH10NO
Molecular Weight
239.240000
Exact Mass
239.074642
InChI
InChI=1S/C15H10FNO/c16-11-7-5-10(6-8-11)15-13(9-18)12-3-1-2-4-14(12)17-15/h1-9,17H
InChIKey
RLQLBZDVAGJSFK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
69.08
TPSA
32.86
LogP / Solubility
WLOGP
3.79
MLOGP
3.34
XLogP3
3.3
Consensus LogP
3.48
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
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)
-1.49
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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- Product Code: starshine_CAS70094-78-9
- Purity/Analytical method: >99.0%
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