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CAS 1240250-29-6 lithium pipecolinate molecular structure lightbox
CAS RN: 1240250-29-6

lithium pipecolinate

  • Product code: SSC-027703
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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: 5g
  • 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 1240250-29-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1240250-29-6 / lithium piperidine-2-carboxylate

Standard CAS: 1240250-29-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1240250-29-6
Multi CAS
No
Molecular Formula
C6H10LiNO2
Molecular Weight
135.100000
Exact Mass
135.087157
SMILES
[Li+].C1CCNC(C1)C(=O)[O-]
InChI
InChI=1S/C6H11NO2.Li/c8-6(9)5-3-1-2-4-7-5;/h5,7H,1-4H2,(H,8,9);/q;+1/p-1
InChIKey
DFQQYEOCHCHLMA-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
30.65
TPSA
52.16

LogP / Solubility

WLOGP
-4.12
MLOGP
-3.63
XLogP3
-4.12
Consensus LogP
-3.96
Log S (ESOL)
1.98
Class (ESOL)
Highly soluble
Log S (Ali)
2.31
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.76
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.47

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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