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CAS 1197943-55-7 ethyl 7-fluoro-4-methoxy-1h-indole-2-carboxylate molecular structure lightbox
CAS RN: 1197943-55-7

ethyl 7-fluoro-4-methoxy-1h-indole-2-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250614 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-020520
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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, 5g
  • Available purity: ＞97%
  • 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 1197943-55-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

1197943-55-7 / ethyl 7-fluoro-4-methoxy-1H-indole-2-carboxylate

ethyl 7-fluoro-4-methoxy-1H-indole-2-carboxylate | MFCD18251689 | SCHEMBL1144707

Standard CAS: 1197943-55-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1197943-55-7
Multi CAS
No
Molecular Formula
C12H12FNO3
Molecular Weight
237.230000
Exact Mass
237.080121
SMILES
CCOC(=O)C1=CC2=C(C=CC(=C2N1)F)OC
InChI
InChI=1S/C12H12FNO3/c1-3-17-12(15)9-6-7-10(16-2)5-4-8(13)11(7)14-9/h4-6,14H,3H2,1-2H3
InChIKey
JYYYQKMBSPASDL-UHFFFAOYSA-N
Synonyms
ethyl 7-fluoro-4-methoxy-1H-indole-2-carboxylate MFCD18251689 SCHEMBL1144707 JYYYQKMBSPASDL-UHFFFAOYSA-N XXB94355

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.77
TPSA
51.32

LogP / Solubility

WLOGP
2.49
MLOGP
2.2
XLogP3
2.7
Consensus LogP
2.46
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly 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)
-2.4

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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