CAS RN: 1190321-22-2
5-Fluoro-7-Methylindole-3-carboxaldehyde
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250511 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1190321-22-2
- Purity/Analytical Methods: >99.0%
1190321-22-2 / 5-fluoro-7-methyl-1H-indole-3-carbaldehyde
5-Fluoro-7-methyl-1H-indole-3-carbaldehyde | 5-Fluoro-7-methylindole-3-carboxaldehyde | 1H-Indole-3-carboxaldehyde, 5-fluoro-7-methyl-
Basic Information
CAS
1190321-22-2
Multi CAS
No
Molecular Formula
C10H8FNO
Molecular Weight
177.170000
Exact Mass
177.058992
SMILES
CC1=CC(=CC2=C1NC=C2C=O)F
InChI
InChI=1S/C10H8FNO/c1-6-2-8(11)3-9-7(5-13)4-12-10(6)9/h2-5,12H,1H3
InChIKey
JXCXBNDVZPXNPG-UHFFFAOYSA-N
Synonyms
5-Fluoro-7-methyl-1H-indole-3-carbaldehyde
5-Fluoro-7-methylindole-3-carboxaldehyde
1H-Indole-3-carboxaldehyde, 5-fluoro-7-methyl-
MFCD12962650
SCHEMBL671315
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.38
TPSA
32.86
LogP / Solubility
WLOGP
2.43
MLOGP
2.13
XLogP3
2
Consensus LogP
2.19
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately 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)
-2.08
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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