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CAS 55695-90-4 2-(9-BROMONONYL-1-OXY)TETRAHYDROPYRAN molecular structure lightbox
CAS RN: 55695-90-4

2-(9-BROMONONYL-1-OXY)TETRAHYDROPYRAN

  • Product code: SSC-163626
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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 55695-90-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

55695-90-4 / 2-(9-bromononoxy)oxane

Standard CAS: 55695-90-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55695-90-4
Multi CAS
No
Molecular Formula
C14H27BRO2
Molecular Weight
307.270000
Exact Mass
306.119440
InChI
InChI=1S/C14H27BrO2/c15-11-7-4-2-1-3-5-8-12-16-14-10-6-9-13-17-14/h14H,1-13H2
InChIKey
LKEZIRZMJBUPIS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
10
H-bond acceptors
2
Molar refractivity
75.66
TPSA
18.46

LogP / Solubility

WLOGP
4.66
MLOGP
4.11
XLogP3
4.8
Consensus LogP
4.52
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.72
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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