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CAS 224297-43-2 Dodecyl 2-(N,N-dimethylamino)propionate molecular structure lightbox
CAS RN: 224297-43-2

Dodecyl 2-(N,N-dimethylamino)propionate

  • Product code: SSC-109375
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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 224297-43-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

224297-43-2 / dodecyl 2-(dimethylamino)propanoate

Standard CAS: 224297-43-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
224297-43-2
Multi CAS
No
Molecular Formula
C17H35NO2
Molecular Weight
285.500000
Exact Mass
285.266779
SMILES
CCCCCCCCCCCCOC(=O)C(C)N(C)C
InChI
InChI=1S/C17H35NO2/c1-5-6-7-8-9-10-11-12-13-14-15-20-17(19)16(2)18(3)4/h16H,5-15H2,1-4H3
InChIKey
HSMMSDWNEJLVRY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.94
Rotatable bonds
13
H-bond acceptors
3
Molar refractivity
85.95
TPSA
29.54

LogP / Solubility

WLOGP
4.4
MLOGP
3.88
XLogP3
6.2
Consensus LogP
4.83
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.73
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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