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CAS 24242-97-5 1-(4-isobutoxyphenyl)ethanone molecular structure lightbox
CAS RN: 24242-97-5

1-(4-isobutoxyphenyl)ethanone

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250101 500mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-118338
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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 24242-97-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

24242-97-5 / 1-[4-(2-methylpropoxy)phenyl]ethanone

Standard CAS: 24242-97-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24242-97-5
Multi CAS
No
Molecular Formula
C12H16O2
Molecular Weight
192.250000
Exact Mass
192.115030
SMILES
CC(C)COC1=CC=C(C=C1)C(=O)C
InChI
InChI=1S/C12H16O2/c1-9(2)8-14-12-6-4-11(5-7-12)10(3)13/h4-7,9H,8H2,1-3H3
InChIKey
ACRYHNAGXRLMAC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
56.78
TPSA
26.3

LogP / Solubility

WLOGP
2.92
MLOGP
2.57
XLogP3
3.1
Consensus LogP
2.86
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
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)
-1.82

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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