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CAS 886362-70-5 5-FLUORO-2-METHYLINDOLE-3-CARBOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 886362-70-5

5-FLUORO-2-METHYLINDOLE-3-CARBOXYLIC ACID ETHYL ESTER

Product Availability

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251105 250mg In stock Inquiry
Batchno.20260203 50mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250511 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-199814
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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 886362-70-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

886362-70-5 / ethyl 5-fluoro-2-methyl-1H-indole-3-carboxylate

Standard CAS: 886362-70-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
886362-70-5
Multi CAS
No
Molecular Formula
C12FH12NO2
Molecular Weight
221.230000
Exact Mass
221.085207
InChI
InChI=1S/C12H12FNO2/c1-3-16-12(15)11-7(2)14-10-5-4-8(13)6-9(10)11/h4-6,14H,3H2,1-2H3
InChIKey
FORZEOSWWHEOEL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.95
TPSA
42.09

LogP / Solubility

WLOGP
2.79
MLOGP
2.46
XLogP3
2.8
Consensus LogP
2.68
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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)
-2.09

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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