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CAS 22362-65-8 5′-CHLORO-2′-HYDROXY-4′-METHYLPROPIOPHENONE molecular structure lightbox
CAS RN: 22362-65-8

5′-CHLORO-2′-HYDROXY-4′-METHYLPROPIOPHENONE

  • Product code: SSC-109044
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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 22362-65-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

22362-65-8 / 1-(5-chloro-2-hydroxy-4-methylphenyl)propan-1-one

Standard CAS: 22362-65-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22362-65-8
Multi CAS
No
Molecular Formula
C10H11ClO2
Molecular Weight
198.640000
Exact Mass
198.044757
SMILES
CCC(=O)C1=C(C=C(C(=C1)Cl)C)O
InChI
InChI=1S/C10H11ClO2/c1-3-9(12)7-5-8(11)6(2)4-10(7)13/h4-5,13H,3H2,1-2H3
InChIKey
OXDGCXYTPWZPNT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.48
TPSA
37.3

LogP / Solubility

WLOGP
2.95
MLOGP
2.59
XLogP3
3.3
Consensus LogP
2.95
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
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)
-1.84

Drug-likeness / Medicinal Chemistry

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

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