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CAS 115666-32-5 4-Bromo-6-Chloro-1H-Indole-3-Carbaldehyde(WXC01660) molecular structure lightbox
CAS RN: 115666-32-5

4-Bromo-6-Chloro-1H-Indole-3-Carbaldehyde(WXC01660)

  • Product code: SSC-015451
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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: ≥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 115666-32-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

115666-32-5 / 4-bromo-6-chloro-1H-indole-3-carbaldehyde

4-Bromo-6-chloro-1H-indole-3-carbaldehyde | MFCD28991942 | AKOS022665576

Standard CAS: 115666-32-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
115666-32-5
Multi CAS
No
Molecular Formula
C9H5BrClNO
Molecular Weight
258.500000
Exact Mass
256.924300
SMILES
C1=C(C=C(C2=C1NC=C2C=O)Br)Cl
InChI
InChI=1S/C9H5BrClNO/c10-7-1-6(11)2-8-9(7)5(4-13)3-12-8/h1-4,12H
InChIKey
OBKFQBZQBVTZNI-UHFFFAOYSA-N
Synonyms
4-Bromo-6-chloro-1H-indole-3-carbaldehyde MFCD28991942 AKOS022665576 4-Bromo-6-chloroindole-3-carbaldehyde CS-15711

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.4
TPSA
32.86

LogP / Solubility

WLOGP
3.4
MLOGP
3
XLogP3
2.8
Consensus LogP
3.07
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.28
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)
-1.89

Drug-likeness / Medicinal Chemistry

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

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