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CAS 92902-95-9 [1-(3-methoxyphenyl)cyclobutyl]methylamine molecular structure lightbox
CAS RN: 92902-95-9

[1-(3-methoxyphenyl)cyclobutyl]methylamine

  • Product code: SSC-206806
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 1g, 5g, 0.25g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 92902-95-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 2 In Stock Shanghai Inquiry
1g ≥97% 2 In Stock Beijing Inquiry
5g ≥97% 2 In Stock Shanghai Inquiry
0.25g ≥97% 1 In Stock Hong Kong Inquiry

92902-95-9 / [1-(3-methoxyphenyl)cyclobutyl]methanamine

Standard CAS: 92902-95-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
92902-95-9
Multi CAS
No
Molecular Formula
C12H17NO
Molecular Weight
191.270000
Exact Mass
191.131014
InChI
InChI=1S/C12H17NO/c1-14-11-5-2-4-10(8-11)12(9-13)6-3-7-12/h2,4-5,8H,3,6-7,9,13H2,1H3
InChIKey
WNUFPFSPWRRXFM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.58
TPSA
35.25

LogP / Solubility

WLOGP
2.08
MLOGP
1.83
XLogP3
2
Consensus LogP
1.97
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
Class (SILICOS-IT)
Moderately 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)
-2.41

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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