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CAS 31466-47-4 2-)4-METHOXYPHENYL)-2-MORPHOLIN-4-YETHYLAMINE DIHYDROCHLORIDE molecular structure lightbox
CAS RN: 31466-47-4

2-)4-METHOXYPHENYL)-2-MORPHOLIN-4-YETHYLAMINE DIHYDROCHLORIDE

  • Product code: SSC-136849
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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: 0.25g
  • 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 31466-47-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

31466-47-4 / (2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine

Standard CAS: 31466-47-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31466-47-4
Multi CAS
Yes
Molecular Formula
C13H20N2O2
Molecular Weight
236.310000
Exact Mass
236.152478
InChI
InChI=1S/C13H20N2O2/c1-16-12-4-2-11(3-5-12)13(10-14)15-6-8-17-9-7-15/h2-5,13H,6-10,14H2,1H3
InChIKey
ZDQVUBJFLWWYQA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.18
TPSA
47.72

LogP / Solubility

WLOGP
1.03
MLOGP
0.91
XLogP3
0.4
Consensus LogP
0.78
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-3.43

Drug-likeness / Medicinal Chemistry

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

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