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CAS 10406-06-1 5-Bromoindole-3-carboxylic Acid molecular structure lightbox
CAS RN: 10406-06-1

5-Bromoindole-3-carboxylic Acid

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260628 5g / 25g / 100g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260424 100g In stock Shanghai Inquiry
Batchno.20251016 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250910 25g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250728 5g In stock Shanghai, Shenzhen, Chengdu Inquiry
  • Product code: SSC-005827
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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, 5g, 10g, 25g
  • Available purity: >97%
  • 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 10406-06-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Beijing Inquiry
10g >97% 0 Out of Stock Beijing Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry

10406-06-1 / 5-bromo-1H-indole-3-carboxylic acid

5-bromo-1H-indole-3-carboxylic acid | 5-Bromoindole-3-carboxylic acid | DTXSID80426961

Standard CAS: 10406-06-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10406-06-1
Multi CAS
Yes
Molecular Formula
C9H6BrNO2
Molecular Weight
240.050000
Exact Mass
238.958190
SMILES
C1=CC2=C(C=C1Br)C(=CN2)C(=O)O
InChI
InChI=1S/C9H6BrNO2/c10-5-1-2-8-6(3-5)7(4-11-8)9(12)13/h1-4,11H,(H,12,13)
InChIKey
JVZMBSGNSAHFCY-UHFFFAOYSA-N
Synonyms
5-bromo-1H-indole-3-carboxylic acid 5-Bromoindole-3-carboxylic acid DTXSID80426961 RefChem:532880 DTXCID10377795

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
52.96
TPSA
53.09

LogP / Solubility

WLOGP
2.63
MLOGP
2.32
XLogP3
2.7
Consensus LogP
2.55
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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)
-2.32

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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