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CAS 119910-45-1 2-BroMo-1H-indole-3-carbaldehyde molecular structure lightbox
CAS RN: 119910-45-1

2-BroMo-1H-indole-3-carbaldehyde

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260524 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250308 200mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-020699
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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
  • 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 119910-45-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

119910-45-1 / 2-bromo-1H-indole-3-carbaldehyde

2-bromo-1H-indole-3-carbaldehyde | 2-bromo-1h-indole-3-carboxaldehyde | DTXSID70326926

Standard CAS: 119910-45-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
119910-45-1
Multi CAS
Yes
Molecular Formula
C9H6BrNO
Molecular Weight
224.050000
Exact Mass
222.963280
SMILES
C1=CC=C2C(=C1)C(=C(N2)Br)C=O
InChI
InChI=1S/C9H6BrNO/c10-9-7(5-12)6-3-1-2-4-8(6)11-9/h1-5,11H
InChIKey
WIRLVLFYTTULCM-UHFFFAOYSA-N
Synonyms
2-bromo-1H-indole-3-carbaldehyde 2-bromo-1h-indole-3-carboxaldehyde DTXSID70326926 RefChem:256934 DTXCID90278039

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.39
TPSA
32.86

LogP / Solubility

WLOGP
2.74
MLOGP
2.42
XLogP3
2.5
Consensus LogP
2.55
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
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)
-2.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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