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CAS 103858-55-5 1H-INDOLE-3-CARBOXYLIC ACID,6-BROMO-ETHYL ESTER molecular structure lightbox
CAS RN: 103858-55-5

1H-INDOLE-3-CARBOXYLIC ACID,6-BROMO-ETHYL ESTER

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251226 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-005489
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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: 1g, 5g, 0.1g, 0.25g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 103858-55-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 4 In Stock Beijing Inquiry
5g >97% 4 In Stock Hong Kong Inquiry
0.1g >97% 2 In Stock Hong Kong Inquiry
0.25g >97% 2 In Stock Shanghai Inquiry

103858-55-5 / ethyl 6-bromo-1H-indole-3-carboxylate

ethyl 6-bromo-1H-indole-3-carboxylate | RefChem:138839 | Ethyl 6-bromo-1H-indole-3-carboxylic acid

Standard CAS: 103858-55-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
103858-55-5
Multi CAS
Yes
Molecular Formula
C11H10BrNO2
Molecular Weight
268.110000
Exact Mass
266.989490
SMILES
CCOC(=O)C1=CNC2=C1C=CC(=C2)Br
InChI
InChI=1S/C11H10BrNO2/c1-2-15-11(14)9-6-13-10-5-7(12)3-4-8(9)10/h3-6,13H,2H2,1H3
InChIKey
GBTDSENHTMLWAI-UHFFFAOYSA-N
Synonyms
ethyl 6-bromo-1H-indole-3-carboxylate RefChem:138839 Ethyl 6-bromo-1H-indole-3-carboxylic acid Ethyl 6-Bromoindole-3-carboxylate MFCD11617101

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
3.7
Consensus LogP
3.18
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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