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CAS 693774-26-4 3-BROMOPHENYL CYCLOPROPYL KETONE molecular structure lightbox
CAS RN: 693774-26-4

3-BROMOPHENYL CYCLOPROPYL KETONE

  • Product code: SSC-179016
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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 693774-26-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

693774-26-4 / (3-bromophenyl)-cyclopropylmethanone

Standard CAS: 693774-26-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
693774-26-4
Multi CAS
No
Molecular Formula
C10H9BRO
Molecular Weight
225.080000
Exact Mass
223.983680
InChI
InChI=1S/C10H9BrO/c11-9-3-1-2-8(6-9)10(12)7-4-5-7/h1-3,6-7H,4-5H2
InChIKey
BVBIQMCEDCXCSP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
51.2
TPSA
17.07

LogP / Solubility

WLOGP
3.04
MLOGP
2.68
XLogP3
2.8
Consensus LogP
2.84
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.93

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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