CAS RN: 588688-40-8
1H-Indole-4-carboxylic acid, 7-fluoro-, Methyl ester
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.20250424 | 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS588688-40-8
- Purity/Analytical Methods: >99.0%
588688-40-8 / methyl 7-fluoro-1H-indole-4-carboxylate
Basic Information
CAS
588688-40-8
Multi CAS
No
Molecular Formula
C10FH8NO2
Molecular Weight
193.170000
Exact Mass
193.053907
InChI
InChI=1S/C10H8FNO2/c1-14-10(13)7-2-3-8(11)9-6(7)4-5-12-9/h2-5,12H,1H3
InChIKey
SOVWYOBYHLAWJY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.6
TPSA
42.09
LogP / Solubility
WLOGP
2.09
MLOGP
1.84
XLogP3
2
Consensus LogP
1.98
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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