CAS RN: 497258-29-4
1H-Indole-3-acetic acid, 5-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.20260321 | 1g | Out of stock | 30 business days | Inquiry |
- Product code: SSC-156017
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: 1g, 0.1g, 0.25g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
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497258-29-4 / methyl 2-(5-fluoro-1H-indol-3-yl)acetate
Basic Information
CAS
497258-29-4
Multi CAS
No
Molecular Formula
C11FH10NO2
Molecular Weight
207.200000
Exact Mass
207.069557
InChI
InChI=1S/C11H10FNO2/c1-15-11(14)4-7-6-13-10-3-2-8(12)5-9(7)10/h2-3,5-6,13H,4H2,1H3
InChIKey
MFECLAWYWGNXOB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.98
TPSA
42.09
LogP / Solubility
WLOGP
2.02
MLOGP
1.78
XLogP3
1.8
Consensus LogP
1.87
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 497261-38-8 8-BROMO-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/497261-38-8.gif)
