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CAS 892871-63-5 1-(Benzyl(2-Methylallyl)Amino)-2-Methylpropan-2-Ol molecular structure lightbox
CAS RN: 892871-63-5

1-(Benzyl(2-Methylallyl)Amino)-2-Methylpropan-2-Ol

  • Product code: SSC-201198
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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 892871-63-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

892871-63-5 / 1-[benzyl(2-methylprop-2-enyl)amino]-2-methylpropan-2-ol

Standard CAS: 892871-63-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
892871-63-5
Multi CAS
No
Molecular Formula
C15H23NO
Molecular Weight
233.350000
Exact Mass
233.177964
InChI
InChI=1S/C15H23NO/c1-13(2)10-16(12-15(3,4)17)11-14-8-6-5-7-9-14/h5-9,17H,1,10-12H2,2-4H3
InChIKey
JZPPKUOGORHYBA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
72.83
TPSA
23.47

LogP / Solubility

WLOGP
2.84
MLOGP
2.5
XLogP3
3
Consensus LogP
2.78
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly 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)
-2.13

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
1.5

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