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CAS 40297-26-5 2-(4-Chloro-phenyl)-cyclopentanone molecular structure lightbox
CAS RN: 40297-26-5

2-(4-Chloro-phenyl)-cyclopentanone

  • Product code: SSC-148409
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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 40297-26-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

40297-26-5 / 2-(4-chlorophenyl)cyclopentan-1-one

Standard CAS: 40297-26-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
40297-26-5
Multi CAS
No
Molecular Formula
C11H11CLO
Molecular Weight
194.660000
Exact Mass
194.049843
InChI
InChI=1S/C11H11ClO/c12-9-6-4-8(5-7-9)10-2-1-3-11(10)13/h4-7,10H,1-3H2
InChIKey
QYRJGCLTALWPLU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
53.05
TPSA
17.07

LogP / Solubility

WLOGP
3.18
MLOGP
2.79
XLogP3
2.7
Consensus LogP
2.89
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
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)
-1.65

Drug-likeness / Medicinal Chemistry

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

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