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CAS 159144-11-3 (2S)-1-(Dimethylamino)-2-methyl-3-pentanone molecular structure lightbox
CAS RN: 159144-11-3

(2S)-1-(Dimethylamino)-2-methyl-3-pentanone

  • Product code: SSC-067195
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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 159144-11-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

159144-11-3 / (2S)-1-(dimethylamino)-2-methylpentan-3-one

Standard CAS: 159144-11-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
159144-11-3
Multi CAS
No
Molecular Formula
C8H17NO
Molecular Weight
143.230000
Exact Mass
143.131014
SMILES
CCC(=O)[C@@H](C)CN(C)C
InChI
InChI=1S/C8H17NO/c1-5-8(10)7(2)6-9(3)4/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKey
QVWGKOYVOZJNRJ-ZETCQYMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.88
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
43.02
TPSA
20.31

LogP / Solubility

WLOGP
1.16
MLOGP
1.02
XLogP3
1
Consensus LogP
1.06
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
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)
-2.77

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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