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CAS 35493-46-0 2-DODECYLCYCLOBUTANONE molecular structure lightbox
CAS RN: 35493-46-0

2-DODECYLCYCLOBUTANONE

  • Product code: SSC-142508
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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 35493-46-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

35493-46-0 / 2-dodecylcyclobutan-1-one

Standard CAS: 35493-46-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
35493-46-0
Multi CAS
Yes
Molecular Formula
C16H30O
Molecular Weight
238.410000
Exact Mass
238.229666
InChI
InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-16(15)17/h15H,2-14H2,1H3
InChIKey
VVKRFZDUZMLMQM-UHFFFAOYSA-N

Physical Properties

Melting Point
25 - 27 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.94
Rotatable bonds
11
H-bond acceptors
1
Molar refractivity
74.19
TPSA
17.07

LogP / Solubility

WLOGP
5.28
MLOGP
4.65
XLogP3
6.4
Consensus LogP
5.44
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.91
Class (SILICOS-IT)
Insoluble

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)
-0.43

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
2

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