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CAS 88277-83-2 C-[1,4]DIOXAN-2-YL-METHYLAMINE molecular structure lightbox
CAS RN: 88277-83-2

C-[1,4]DIOXAN-2-YL-METHYLAMINE

  • Product code: SSC-198824
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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 88277-83-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

88277-83-2 / [(2S)-1,4-dioxan-2-yl]methanamine

Standard CAS: 88277-83-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88277-83-2
Multi CAS
Yes
Molecular Formula
C5H11NO2
Molecular Weight
117.150000
Exact Mass
117.078979
InChI
InChI=1S/C5H11NO2/c6-3-5-4-7-1-2-8-5/h5H,1-4,6H2
InChIKey
PREOONMJIVUPMI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
29.61
TPSA
44.48

LogP / Solubility

WLOGP
-0.64
MLOGP
-0.57
XLogP3
-1.2
Consensus LogP
-0.8
Log S (ESOL)
-0.1
Class (ESOL)
Very soluble
Log S (Ali)
-0.06
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.01
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-3.89

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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