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CAS 210569-69-0 3-(6-bromo-1H-indol-3-yl)propanoic acid molecular structure lightbox
CAS RN: 210569-69-0

3-(6-bromo-1H-indol-3-yl)propanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260416 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-100316
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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: 0.25g, 1g, 0.1g, 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • 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 210569-69-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 4 In Stock Hong Kong Inquiry
1g ≥95% 3 In Stock Shanghai Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
5g ≥95% 1 In Stock Beijing Inquiry
10g ≥95% 1 In Stock Hong Kong Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

210569-69-0 / 3-(6-bromo-1H-indol-3-yl)propanoic acid

Standard CAS: 210569-69-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
210569-69-0
Multi CAS
No
Molecular Formula
C11H10BrNO2
Molecular Weight
268.110000
Exact Mass
266.989490
SMILES
C1=CC2=C(C=C1Br)NC=C2CCC(=O)O
InChI
InChI=1S/C11H10BrNO2/c12-8-2-3-9-7(1-4-11(14)15)6-13-10(9)5-8/h2-3,5-6,13H,1,4H2,(H,14,15)
InChIKey
RLHSUKOLQNHGRC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
2
Molar refractivity
61.96
TPSA
53.09

LogP / Solubility

WLOGP
2.95
MLOGP
2.6
XLogP3
2.4
Consensus LogP
2.65
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.21
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)
-2.26

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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