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CAS 5384-03-2 1-(5-bromo-2-hydroxy-3,4-dimethyl-phenyl)propan-1-one molecular structure lightbox
CAS RN: 5384-03-2

1-(5-bromo-2-hydroxy-3,4-dimethyl-phenyl)propan-1-one

  • Product code: SSC-161239
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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 5384-03-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

5384-03-2 / 1-(5-bromo-2-hydroxy-3,4-dimethylphenyl)propan-1-one

Standard CAS: 5384-03-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5384-03-2
Multi CAS
No
Molecular Formula
C11H13BRO2
Molecular Weight
257.120000
Exact Mass
256.009890
InChI
InChI=1S/C11H13BrO2/c1-4-10(13)8-5-9(12)6(2)7(3)11(8)14/h5,14H,4H2,1-3H3
InChIKey
LTINARLTQHMYIB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.9
TPSA
37.3

LogP / Solubility

WLOGP
3.36
MLOGP
2.97
XLogP3
3.7
Consensus LogP
3.34
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly 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)
-1.9

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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