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CAS 37593-02-5 4′-Pentylacetophenone molecular structure lightbox
CAS RN: 37593-02-5

4′-Pentylacetophenone

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250706 100g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251211 25g In stock Tianjin, Wuhan Inquiry
Batchno.20260220 25g / 100g / 500g Confirm by inquiry Shandong 8-10 business days Inquiry
Batchno.20250116 500g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250219 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-145011
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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: 25g, 100g
  • Available purity: ＞97%
  • 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 37593-02-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry
100g ＞97% 0 Out of Stock Beijing Inquiry

37593-02-5 / 1-(4-pentylphenyl)ethanone

Standard CAS: 37593-02-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
37593-02-5
Multi CAS
Yes
Molecular Formula
C13H18O
Molecular Weight
190.280000
Exact Mass
190.135765
InChI
InChI=1S/C13H18O/c1-3-4-5-6-12-7-9-13(10-8-12)11(2)14/h7-10H,3-6H2,1-2H3
InChIKey
KBKGPMDADJLBEM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
59.68
TPSA
17.07

LogP / Solubility

WLOGP
3.62
MLOGP
3.19
XLogP3
3.8
Consensus LogP
3.54
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.5
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)
-1.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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