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CAS 1082892-91-8 1H-Indole-3-acetic acid, 7-fluoro-α-oxo- molecular structure lightbox
CAS RN: 1082892-91-8

1H-Indole-3-acetic acid, 7-fluoro-α-oxo-

  • Product code: SSC-009609
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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: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1082892-91-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1082892-91-8 / 2-(7-fluoro-1H-indol-3-yl)-2-oxoacetic acid

2-(7-fluoro-1H-indol-3-yl)-2-oxoacetic acid | 2-(7-Fluoro-3-indolyl)-2-oxoacetic Acid | MFCD11604578

Standard CAS: 1082892-91-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1082892-91-8
Multi CAS
No
Molecular Formula
C10H6FNO3
Molecular Weight
207.160000
Exact Mass
207.033171
SMILES
C1=CC2=C(C(=C1)F)NC=C2C(=O)C(=O)O
InChI
InChI=1S/C10H6FNO3/c11-7-3-1-2-5-6(4-12-8(5)7)9(13)10(14)15/h1-4,12H,(H,14,15)
InChIKey
DSBNAVWAMYXVNE-UHFFFAOYSA-N
Synonyms
2-(7-fluoro-1H-indol-3-yl)-2-oxoacetic acid 2-(7-Fluoro-3-indolyl)-2-oxoacetic Acid MFCD11604578 SCHEMBL1559436 AC2861

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.22
TPSA
70.16

LogP / Solubility

WLOGP
1.57
MLOGP
1.39
XLogP3
1.6
Consensus LogP
1.52
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
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)
-2.87

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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