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CAS 1017388-31-6 Cyclopropanamine, 1-(3,4-dimethoxyphenyl)- molecular structure lightbox
CAS RN: 1017388-31-6

Cyclopropanamine, 1-(3,4-dimethoxyphenyl)-

  • Product code: SSC-002695
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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, 5g
  • Available purity: ≥95%
  • 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 1017388-31-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 3 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry
1g ≥95% 2 In Stock Beijing Inquiry
5g ≥95% 2 In Stock Shanghai Inquiry

1017388-31-6 / 1-(3,4-dimethoxyphenyl)cyclopropan-1-amine

Cyclopropanamine, 1-(3,4-dimethoxyphenyl)- | 1-(3,4-Dimethoxyphenyl)cyclopropanamine | MFCD09903930

Standard CAS: 1017388-31-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1017388-31-6
Multi CAS
No
Molecular Formula
C11H15NO2
Molecular Weight
193.240000
Exact Mass
193.110279
SMILES
COC1=C(C=C(C=C1)C2(CC2)N)OC
InChI
InChI=1S/C11H15NO2/c1-13-9-4-3-8(7-10(9)14-2)11(12)5-6-11/h3-4,7H,5-6,12H2,1-2H3
InChIKey
WRRLWQMERKKTLF-UHFFFAOYSA-N
Synonyms
Cyclopropanamine, 1-(3,4-dimethoxyphenyl)- 1-(3,4-Dimethoxyphenyl)cyclopropanamine MFCD09903930 1-(3,4-dimethoxyphenyl)cyclopropan-1-amine Cyclopropanamine,1-(3,4-dimethoxyphenyl)-

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.65
TPSA
44.48

LogP / Solubility

WLOGP
1.65
MLOGP
1.45
XLogP3
0.7
Consensus LogP
1.27
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-2.73

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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