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CAS 32541-58-5 4-Isopropoxy-2-butanone molecular structure lightbox
CAS RN: 32541-58-5

4-Isopropoxy-2-butanone

  • Product code: SSC-138147
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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: 5ml
  • Available purity: ≥98%
  • 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 32541-58-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5ml ≥98% 0 Out of Stock Shenzhen Inquiry

32541-58-5 / 4-propan-2-yloxybutan-2-one

Standard CAS: 32541-58-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
32541-58-5
Multi CAS
Yes
Molecular Formula
C7H14O2
Molecular Weight
130.180000
Exact Mass
130.099380
InChI
InChI=1S/C7H14O2/c1-6(2)9-5-4-7(3)8/h6H,4-5H2,1-3H3
InChIKey
MEWOUXCWMNHTIZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.86
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
36.39
TPSA
26.3

LogP / Solubility

WLOGP
1.39
MLOGP
1.22
XLogP3
0.5
Consensus LogP
1.04
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.14
Class (SILICOS-IT)
Moderately 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)
-2.53

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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