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CAS 37591-27-8 1-piperidinepropanal, alpha,alpha-dimethyl- molecular structure lightbox
CAS RN: 37591-27-8

1-piperidinepropanal, alpha,alpha-dimethyl-

  • Product code: SSC-145010
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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 37591-27-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

37591-27-8 / 2,2-dimethyl-3-piperidin-1-ylpropanal

Standard CAS: 37591-27-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
37591-27-8
Multi CAS
No
Molecular Formula
C10H19NO
Molecular Weight
169.260000
Exact Mass
169.146664
InChI
InChI=1S/C10H19NO/c1-10(2,9-12)8-11-6-4-3-5-7-11/h9H,3-8H2,1-2H3
InChIKey
VWOLCOPMYXCKGO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.9
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
50.14
TPSA
20.31

LogP / Solubility

WLOGP
1.7
MLOGP
1.49
XLogP3
1.5
Consensus LogP
1.56
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-2.17
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)
-2.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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