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CAS 92146-76-4 (3-Benzyloxycyclobutyl)aMine hydrochloride molecular structure lightbox
CAS RN: 92146-76-4

(3-Benzyloxycyclobutyl)aMine hydrochloride

  • Product code: SSC-205711
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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 92146-76-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

92146-76-4 / 3-phenylmethoxycyclobutan-1-amine;hydrochloride

Standard CAS: 92146-76-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
92146-76-4
Multi CAS
No
Molecular Formula
C11H16CLNO
Molecular Weight
213.700000
Exact Mass
213.092042
InChI
InChI=1S/C11H15NO.ClH/c12-10-6-11(7-10)13-8-9-4-2-1-3-5-9;/h1-5,10-11H,6-8,12H2;1H
InChIKey
AJMLIIBGYIRLDD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.48
TPSA
35.25

LogP / Solubility

WLOGP
2.11
MLOGP
1.86
XLogP3
2.11
Consensus LogP
2.03
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
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)
-2.52

Drug-likeness / Medicinal Chemistry

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

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