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CAS 60060-44-8 2-BROMOCYCLOHEXANE-1,3-DIONE molecular structure lightbox
CAS RN: 60060-44-8

2-BROMOCYCLOHEXANE-1,3-DIONE

  • Product code: SSC-168641
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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: >97%
  • 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 60060-44-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry

60060-44-8 / 2-bromo-3-hydroxycyclohex-2-en-1-one

Standard CAS: 60060-44-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
60060-44-8
Multi CAS
Yes
Molecular Formula
C6H7BRO2
Molecular Weight
191.020000
Exact Mass
189.962940
InChI
InChI=1S/C6H7BrO2/c7-6-4(8)2-1-3-5(6)9/h6H,1-3H2
InChIKey
UBUJDMSDEQBNTG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.44
TPSA
37.3

LogP / Solubility

WLOGP
1.9
MLOGP
1.67
XLogP3
1.2
Consensus LogP
1.59
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
Class (SILICOS-IT)
Moderately 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)
-2.53

Drug-likeness / Medicinal Chemistry

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

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