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CAS 1106942-47-5 1H-Indole, 7-fluoro-5-methoxy- molecular structure lightbox
CAS RN: 1106942-47-5

1H-Indole, 7-fluoro-5-methoxy-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250529 1g Out of stock 15 business days Inquiry
  • Product code: SSC-011666
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1106942-47-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1106942-47-5 / 7-fluoro-5-methoxy-1H-indole

7-fluoro-5-methoxy-1H-indole | 5-Methoxy-7-fluoro-1H-indole | 7-Fluoro-5-methoxyindole

Standard CAS: 1106942-47-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1106942-47-5
Multi CAS
No
Molecular Formula
C9H8FNO
Molecular Weight
165.160000
Exact Mass
165.058992
SMILES
COC1=CC(=C2C(=C1)C=CN2)F
InChI
InChI=1S/C9H8FNO/c1-12-7-4-6-2-3-11-9(6)8(10)5-7/h2-5,11H,1H3
InChIKey
ZZVYPTICESWIHO-UHFFFAOYSA-N
Synonyms
7-fluoro-5-methoxy-1H-indole 5-Methoxy-7-fluoro-1H-indole 7-Fluoro-5-methoxyindole SCHEMBL1356816 ZZVYPTICESWIHO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.81
TPSA
25.02

LogP / Solubility

WLOGP
2.32
MLOGP
2.03
XLogP3
2.1
Consensus LogP
2.15
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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
Leadlikeness
No
Synthetic Accessibility
1.5

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