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CAS 50337-75-2 1-(tert-butoxy)naphthalene molecular structure lightbox
CAS RN: 50337-75-2

1-(tert-butoxy)naphthalene

  • Product code: SSC-156799
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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 50337-75-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

50337-75-2 / 1-[(2-methylpropan-2-yl)oxy]naphthalene

Standard CAS: 50337-75-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
50337-75-2
Multi CAS
No
Molecular Formula
C14H16O
Molecular Weight
200.280000
Exact Mass
200.120115
InChI
InChI=1S/C14H16O/c1-14(2,3)15-13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,1-3H3
InChIKey
CQTPIJQVFIVEGT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
64.33
TPSA
9.23

LogP / Solubility

WLOGP
4.02
MLOGP
3.54
XLogP3
4.6
Consensus LogP
4.05
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.09

Drug-likeness / Medicinal Chemistry

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

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