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CAS 103858-52-2 4-Bromoindole-2-carboxylic acid ethyl ester molecular structure lightbox
CAS RN: 103858-52-2

4-Bromoindole-2-carboxylic acid ethyl ester

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251215 250mg / 1g / 5g / 10g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260124 100mg In stock Inquiry
Batchno.20250614 1g In stock Inquiry
Batchno.20250310 250mg In stock Inquiry
Batchno.20250510 5g In stock Inquiry
  • Product code: SSC-005486
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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: 5g
  • 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 103858-52-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

103858-52-2 / ethyl 4-bromo-1H-indole-2-carboxylate

Ethyl 4-bromo-1H-indole-2-carboxylate | 4-BROMO-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER | 4-bromoindole-2-carboxylic acid ethyl ester

Standard CAS: 103858-52-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
103858-52-2
Multi CAS
No
Molecular Formula
C11H10BrNO2
Molecular Weight
268.110000
Exact Mass
266.989490
SMILES
CCOC(=O)C1=CC2=C(N1)C=CC=C2Br
InChI
InChI=1S/C11H10BrNO2/c1-2-15-11(14)10-6-7-8(12)4-3-5-9(7)13-10/h3-6,13H,2H2,1H3
InChIKey
KNPDUPLMXYEJAU-UHFFFAOYSA-N
Synonyms
Ethyl 4-bromo-1H-indole-2-carboxylate 4-BROMO-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER 4-bromoindole-2-carboxylic acid ethyl ester MFCD12174997 ethyl 4-bromoindole-2-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.96
TPSA
42.09

LogP / Solubility

WLOGP
3.11
MLOGP
2.74
XLogP3
3.9
Consensus LogP
3.25
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.22
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)
-2.15

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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