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CAS 45206-91-5 7-HEXADECANONE molecular structure lightbox
CAS RN: 45206-91-5

7-HEXADECANONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250306 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-153020
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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: ＞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 45206-91-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

45206-91-5 / hexadecan-7-one

Standard CAS: 45206-91-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
45206-91-5
Multi CAS
Yes
Molecular Formula
C16H32O
Molecular Weight
240.420000
Exact Mass
240.245316
InChI
InChI=1S/C16H32O/c1-3-5-7-9-10-11-13-15-16(17)14-12-8-6-4-2/h3-15H2,1-2H3
InChIKey
XMIMKDVDMTZIIW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.94
Rotatable bonds
13
H-bond acceptors
1
Molar refractivity
76.38
TPSA
17.07

LogP / Solubility

WLOGP
5.67
MLOGP
4.99
XLogP3
6.5
Consensus LogP
5.72
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.49
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)
-0.16

Drug-likeness / Medicinal Chemistry

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

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