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CAS 822-85-5 2-Bromocyclohexan-1-one (stabilized with HQ + CaCO3) molecular structure lightbox
CAS RN: 822-85-5

2-Bromocyclohexan-1-one (stabilized with HQ + CaCO3)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250520 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-190411
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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: >98%
  • 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 822-85-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 0 Out of Stock Shanghai Inquiry

822-85-5 / (2R)-2-bromocyclohexan-1-one

Standard CAS: 822-85-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
822-85-5
Multi CAS
Yes
Molecular Formula
C6H9BRO
Molecular Weight
177.040000
Exact Mass
175.983680
InChI
InChI=1S/C6H9BrO/c7-5-3-1-2-4-6(5)8/h5H,1-4H2/t5-/m1/s1
InChIKey
KDXYEWRAWRZXFT-RXMQYKEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.83
H-bond acceptors
1
Molar refractivity
36.19
TPSA
17.07

LogP / Solubility

WLOGP
1.89
MLOGP
1.66
XLogP3
1.6
Consensus LogP
1.72
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
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)
-2.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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