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CAS 1017387-07-3 1-(4-Methoxyphenyl)cyclobutanaMine hcl molecular structure lightbox
CAS RN: 1017387-07-3

1-(4-Methoxyphenyl)cyclobutanaMine hcl

  • Product code: SSC-002693
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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, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 1017387-07-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry
1g ≥95% 2 In Stock Beijing Inquiry

1017387-07-3 / 1-(4-methoxyphenyl)cyclobutan-1-amine

1-(4-METHOXYPHENYL)CYCLOBUTANAMINE | 1-(4-METHOXYPHENYL)CYCLOBUTAN-1-AMINE | MFCD09903763

Standard CAS: 1017387-07-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1017387-07-3
Multi CAS
Yes
Molecular Formula
C11H15NO
Molecular Weight
177.240000
Exact Mass
177.115364
SMILES
COC1=CC=C(C=C1)C2(CCC2)N
InChI
InChI=1S/C11H15NO/c1-13-10-5-3-9(4-6-10)11(12)7-2-8-11/h3-6H,2,7-8,12H2,1H3
InChIKey
LHPLFXKYTQGLLU-UHFFFAOYSA-N
Synonyms
1-(4-METHOXYPHENYL)CYCLOBUTANAMINE 1-(4-METHOXYPHENYL)CYCLOBUTAN-1-AMINE MFCD09903763 SCHEMBL11972187 SQB38707

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.71
TPSA
35.25

LogP / Solubility

WLOGP
2.03
MLOGP
1.79
XLogP3
1.5
Consensus LogP
1.77
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.36

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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