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CAS 540-08-9 9-Heptadecanone molecular structure lightbox
CAS RN: 540-08-9

9-Heptadecanone

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250120 1g In stock Inquiry
Batchno.20260108 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
Batchno.20251109 250mg In stock Inquiry
Batchno.20250109 25g In stock Inquiry
Batchno.20260530 5g In stock Inquiry
  • Product code: SSC-161487
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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
  • 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 540-08-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

540-08-9 / heptadecan-9-one

Standard CAS: 540-08-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
540-08-9
Multi CAS
No
Molecular Formula
C17H34O
Molecular Weight
254.500000
Exact Mass
254.260966
InChI
InChI=1S/C17H34O/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChIKey
WTJKUFMLQFLJOT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.94
Rotatable bonds
14
H-bond acceptors
1
Molar refractivity
80.99
TPSA
17.07

LogP / Solubility

WLOGP
6.06
MLOGP
5.34
XLogP3
7
Consensus LogP
6.13
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.02
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.03

Drug-likeness / Medicinal Chemistry

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

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