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CAS 396076-60-1 7-bromo-5-fluoro-1H-indole-2-carboxylic acid ethyl ester molecular structure lightbox
CAS RN: 396076-60-1

7-bromo-5-fluoro-1H-indole-2-carboxylic acid ethyl ester

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250411 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251009 100mg In stock Shanghai Inquiry
Batchno.20250426 10g In stock Shanghai Inquiry
Batchno.20250430 1g In stock Shanghai Inquiry
Batchno.20250629 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260518 5g In stock Shanghai Inquiry
  • Product code: SSC-147298
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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, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 6
  • 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 396076-60-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Hong Kong Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g -- 1 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g -- 1 In Stock Shanghai Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry
5g -- 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

396076-60-1 / ethyl 7-bromo-5-fluoro-1H-indole-2-carboxylate

Standard CAS: 396076-60-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
396076-60-1
Multi CAS
No
Molecular Formula
BC11H9NO2Rf
Molecular Weight
286.100000
Exact Mass
284.980070
InChI
InChI=1S/C11H9BrFNO2/c1-2-16-11(15)9-4-6-3-7(13)5-8(12)10(6)14-9/h3-5,14H,2H2,1H3
InChIKey
ZAUJOWOCPLOJNM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.91
TPSA
42.09

LogP / Solubility

WLOGP
3.25
MLOGP
2.87
XLogP3
3.4
Consensus LogP
3.17
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly 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)
-2.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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