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CAS 23588-51-4 2,2-DIMETHYL-3-MORPHOLIN-4-YL-PROPIONALDEHYDE molecular structure lightbox
CAS RN: 23588-51-4

2,2-DIMETHYL-3-MORPHOLIN-4-YL-PROPIONALDEHYDE

  • Product code: SSC-114777
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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 23588-51-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

23588-51-4 / 2-amino-3-cyclohexylpropanoic acid

Standard CAS: 23588-51-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23588-51-4
Multi CAS
No
Molecular Formula
C9H17NO2
Molecular Weight
171.240000
Exact Mass
171.125929
SMILES
C1CCC(CC1)CC(C(=O)O)N
InChI
InChI=1S/C9H17NO2/c1-9(2,8-11)7-10-3-5-12-6-4-10/h8H,3-7H2,1-2H3
InChIKey
KVOOZKISXYTWCJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.8
TPSA
63.32

LogP / Solubility

WLOGP
1.37
MLOGP
1.2
XLogP3
-0.3
Consensus LogP
0.76
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.27
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)
-2.79

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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