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CAS 1864072-31-0 6‐bromo‐5‐chloro‐3‐methyl‐1h‐indole molecular structure lightbox
CAS RN: 1864072-31-0

6‐bromo‐5‐chloro‐3‐methyl‐1h‐indole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250812 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-086509
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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 1864072-31-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1864072-31-0 / 6-bromo-5-chloro-3-methyl-1H-indole

Standard CAS: 1864072-31-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1864072-31-0
Multi CAS
No
Molecular Formula
C9H7BrClN
Molecular Weight
244.510000
Exact Mass
242.945040
SMILES
CC1=CNC2=CC(=C(C=C12)Cl)Br
InChI
InChI=1S/C9H7BrClN/c1-5-4-12-9-3-7(10)8(11)2-6(5)9/h2-4,12H,1H3
InChIKey
LKCKXROVPFAVPC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond donors
1
Molar refractivity
55.75
TPSA
15.79

LogP / Solubility

WLOGP
3.89
MLOGP
3.43
XLogP3
3.7
Consensus LogP
3.67
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.45

Drug-likeness / Medicinal Chemistry

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

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