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CAS 15360-00-6 p-tert-butoxyanisole molecular structure lightbox
CAS RN: 15360-00-6

p-tert-butoxyanisole

  • Product code: SSC-063004
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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 15360-00-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

15360-00-6 / 1-methoxy-4-[(2-methylpropan-2-yl)oxy]benzene

Standard CAS: 15360-00-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15360-00-6
Multi CAS
No
Molecular Formula
C11H16O2
Molecular Weight
180.240000
Exact Mass
180.115030
SMILES
CC(C)(C)OC1=CC=C(C=C1)OC
InChI
InChI=1S/C11H16O2/c1-11(2,3)13-10-7-5-9(12-4)6-8-10/h5-8H,1-4H3
InChIKey
SOEWHLJEXIKEPN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
53.38
TPSA
18.46

LogP / Solubility

WLOGP
2.87
MLOGP
2.53
XLogP3
3
Consensus LogP
2.8
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.78

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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