CAS RN: 1158331-26-0
Methyl 7-fluoro-1H-indole-2-carboxylate
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.20250402 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-015564
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1158331-26-0 / methyl 7-fluoro-1H-indole-2-carboxylate
Methyl 7-fluoro-1H-indole-2-carboxylate | 1H-Indole-2-carboxylic acid, 7-fluoro-, methyl ester | MFCD15209175
Basic Information
CAS
1158331-26-0
Multi CAS
No
Molecular Formula
C10H8FNO2
Molecular Weight
193.170000
Exact Mass
193.053907
SMILES
COC(=O)C1=CC2=C(N1)C(=CC=C2)F
InChI
InChI=1S/C10H8FNO2/c1-14-10(13)8-5-6-3-2-4-7(11)9(6)12-8/h2-5,12H,1H3
InChIKey
BGBIZAPWDPPXGS-UHFFFAOYSA-N
Synonyms
Methyl 7-fluoro-1H-indole-2-carboxylate
1H-Indole-2-carboxylic acid, 7-fluoro-, methyl ester
MFCD15209175
Methyl7-fluoro-1H-indole-2-carboxylate
DTXSID70743750
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
2.6
Consensus LogP
2.18
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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