[email protected]
CAS 35493-47-1 2-TETRADECYL-CYCLOBUTANONE molecular structure lightbox
CAS RN: 35493-47-1

2-TETRADECYL-CYCLOBUTANONE

  • Product code: SSC-142509
GET A QUOTE
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
Request Bulk Quote

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 35493-47-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

35493-47-1 / 2-tetradecylcyclobutan-1-one

Standard CAS: 35493-47-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35493-47-1
Multi CAS
Yes
Molecular Formula
C18H34O
Molecular Weight
266.500000
Exact Mass
266.260966
InChI
InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(17)19/h17H,2-16H2,1H3
InChIKey
HTZLOIBLMXPDGR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.94
Rotatable bonds
13
H-bond acceptors
1
Molar refractivity
83.43
TPSA
17.07

LogP / Solubility

WLOGP
6.06
MLOGP
5.34
XLogP3
7.5
Consensus LogP
6.3
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.98
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)
-0.05

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
2

Customers Also Viewed

Get In Touch

Contact Us