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CAS 1152833-63-0 CYCLOPROPYL(4-ISOPROPOXYPHENYL)METHANONE molecular structure lightbox
CAS RN: 1152833-63-0

CYCLOPROPYL(4-ISOPROPOXYPHENYL)METHANONE

  • Product code: SSC-015016
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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 1152833-63-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1152833-63-0 / cyclopropyl-(4-propan-2-yloxyphenyl)methanone

Cyclopropyl(4-isopropoxyphenyl)methanone | SCHEMBL30949371 | MFCD00128067

Standard CAS: 1152833-63-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1152833-63-0
Multi CAS
No
Molecular Formula
C13H16O2
Molecular Weight
204.260000
Exact Mass
204.115030
SMILES
CC(C)OC1=CC=C(C=C1)C(=O)C2CC2
InChI
InChI=1S/C13H16O2/c1-9(2)15-12-7-5-11(6-8-12)13(14)10-3-4-10/h5-10H,3-4H2,1-2H3
InChIKey
STNRZNADQGAHEI-UHFFFAOYSA-N
Synonyms
Cyclopropyl(4-isopropoxyphenyl)methanone SCHEMBL30949371 MFCD00128067 SY382456 cyclopropyl-(4-propan-2-yloxyphenyl)methanone

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
59.26
TPSA
26.3

LogP / Solubility

WLOGP
3.07
MLOGP
2.7
XLogP3
2.8
Consensus LogP
2.86
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
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)
-1.79

Drug-likeness / Medicinal Chemistry

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

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