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CAS 1375064-56-4 1-Acetyl-3-broMo-5-chloroindole molecular structure lightbox
CAS RN: 1375064-56-4

1-Acetyl-3-broMo-5-chloroindole

  • Product code: SSC-047154
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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: 5g
  • 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 1375064-56-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1375064-56-4 / 1-(3-bromo-5-chloroindol-1-yl)ethanone

Standard CAS: 1375064-56-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1375064-56-4
Multi CAS
No
Molecular Formula
C10H7BrClNO
Molecular Weight
272.520000
Exact Mass
270.939950
SMILES
CC(=O)N1C=C(C2=C1C=CC(=C2)Cl)Br
InChI
InChI=1S/C10H7BrClNO/c1-6(14)13-5-9(11)8-4-7(12)2-3-10(8)13/h2-5H,1H3
InChIKey
WWJGSGYLHLDIMT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.1
H-bond acceptors
2
Molar refractivity
60.95
TPSA
22

LogP / Solubility

WLOGP
3.72
MLOGP
3.28
XLogP3
3.2
Consensus LogP
3.4
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
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)
-1.74

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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