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CAS 1375064-60-0 1-Acetyl-3-broMo-7-Methylindole molecular structure lightbox
CAS RN: 1375064-60-0

1-Acetyl-3-broMo-7-Methylindole

  • Product code: SSC-047158
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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 1375064-60-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1375064-60-0 / 1-(3-bromo-7-methylindol-1-yl)ethanone

Standard CAS: 1375064-60-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1375064-60-0
Multi CAS
No
Molecular Formula
C11H10BrNO
Molecular Weight
252.110000
Exact Mass
250.994580
SMILES
CC1=C2C(=CC=C1)C(=CN2C(=O)C)Br
InChI
InChI=1S/C11H10BrNO/c1-7-4-3-5-9-10(12)6-13(8(2)14)11(7)9/h3-6H,1-2H3
InChIKey
UVUMFIYMNNFHAV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.18
H-bond acceptors
2
Molar refractivity
60.68
TPSA
22

LogP / Solubility

WLOGP
3.37
MLOGP
2.97
XLogP3
2.9
Consensus LogP
3.08
Log S (ESOL)
-4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.1
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)
-1.86

Drug-likeness / Medicinal Chemistry

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

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