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CAS 1477524-71-2 4-(4-bromophenyl)-4-hydroxycyclohexanone molecular structure lightbox
CAS RN: 1477524-71-2

4-(4-bromophenyl)-4-hydroxycyclohexanone

  • Product code: SSC-058283
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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 1477524-71-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1477524-71-2 / 4-(4-bromophenyl)-4-hydroxycyclohexan-1-one

Standard CAS: 1477524-71-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1477524-71-2
Multi CAS
No
Molecular Formula
C12H13BrO2
Molecular Weight
269.130000
Exact Mass
268.009890
SMILES
C1CC(CCC1=O)(C2=CC=C(C=C2)Br)O
InChI
InChI=1S/C12H13BrO2/c13-10-3-1-9(2-4-10)12(15)7-5-11(14)6-8-12/h1-4,15H,5-8H2
InChIKey
CWNPFDCCDZSCLV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.51
TPSA
37.3

LogP / Solubility

WLOGP
2.78
MLOGP
2.45
XLogP3
1.8
Consensus LogP
2.34
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
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)
-2.39

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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