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CAS 54398-65-1 alpha-cyclopropyl-4-methoxybenzylamine molecular structure lightbox
CAS RN: 54398-65-1

alpha-cyclopropyl-4-methoxybenzylamine

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250703 100mg In stock Shanghai Inquiry
Batchno.20251104 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250108 1g In stock Shanghai Inquiry
Batchno.20260310 250mg In stock Shanghai, Wuhan Inquiry
Batchno.20260521 5g In stock Shanghai Inquiry
  • Product code: SSC-162062
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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 54398-65-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

54398-65-1 / cyclopropyl-(4-methoxyphenyl)methanamine

Standard CAS: 54398-65-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54398-65-1
Multi CAS
No
Molecular Formula
C11H15NO
Molecular Weight
177.240000
Exact Mass
177.115364
InChI
InChI=1S/C11H15NO/c1-13-10-6-4-9(5-7-10)11(12)8-2-3-8/h4-8,11H,2-3,12H2,1H3
InChIKey
IVVASFZJFLBRPG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.65
TPSA
35.25

LogP / Solubility

WLOGP
2.1
MLOGP
1.85
XLogP3
1.5
Consensus LogP
1.82
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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