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CAS 2550-52-9 cyclohexadecanone molecular structure lightbox
CAS RN: 2550-52-9

cyclohexadecanone

  • Product code: SSC-121508
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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 2550-52-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2550-52-9 / cyclohexadecanone

Standard CAS: 2550-52-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2550-52-9
Multi CAS
No
Molecular Formula
C16H30O
Molecular Weight
238.410000
Exact Mass
238.229666
SMILES
C1CCCCCCCC(=O)CCCCCCC1
InChI
InChI=1S/C16H30O/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h1-15H2
InChIKey
LXJDKGYSHYYKFJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.94
H-bond acceptors
1
Molar refractivity
74.26
TPSA
17.07

LogP / Solubility

WLOGP
5.42
MLOGP
4.77
XLogP3
6.4
Consensus LogP
5.53
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.71
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-0.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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